3,7-dimethylocta-2,6-dien-1-yl 5,9,13-trimethyltetradeca-4,8,12-trienoate

3,7-dimethylocta-2,6-dien-1-yl 5,9,13-trimethyltetradeca-4,8,12-trienoate

CAS: 16898-88-7

Formula: C27H44O2

SMILES: CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)OCC=C(C)CCC=C(C)C

IUPAC: 3,7-dimethylocta-2,6-dien-1-yl 5,9,13-trimethyltetradeca-4,8,12-trienoate

InChI: InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3

Composition: C (80.94%), H (11.07%), O (7.99%)

Molar Mass: 400.647

Atom Count: 73

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	400.334130657
Formal Charge	0
FSP3	0.59
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZPACYDRSPFRDHO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	131.77
Topological Polar Surface Area	26.3
Polarizability	50.11
Ring Count	0
Rotatable Bond Count	15

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