heptyl 3-oxobutanoate

heptyl 3-oxobutanoate

CAS: 42598-96-9

Formula: C11H20O3

SMILES: CCCCCCCOC(=O)CC(C)=O

IUPAC: heptyl 3-oxobutanoate

InChI: InChI=1S/C11H20O3/c1-3-4-5-6-7-8-14-11(13)9-10(2)12/h3-9H2,1-2H3

Composition: C (65.97%), H (10.07%), O (23.97%)

Molar Mass: 200.278

Atom Count: 34

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	200.141244504
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YAVJSVDUZGIQPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.98
Topological Polar Surface Area	43.37
Polarizability	21.83
Ring Count	0
Rotatable Bond Count	9

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