3-(docos-1-en-1-yl)oxolane-2,5-dione

3-(docos-1-en-1-yl)oxolane-2,5-dione

CAS: 58598-42-8

Formula: C26H46O3

SMILES: CCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O

IUPAC: 3-(docos-1-en-1-yl)oxolane-2,5-dione

InChI: InChI=1/C26H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23-25(27)29-26(24)28/h21-22,24H,2-20,23H2,1H3

Composition: C (76.79%), H (11.40%), O (11.80%)

Molar Mass: 406.651

Atom Count: 75

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	406.344695341
Formal Charge	0
FSP3	0.85
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WYSMQSIDRZXTBU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	122.64
Topological Polar Surface Area	43.37
Polarizability	48.5
Ring Count	1
Rotatable Bond Count	20

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