3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one

C18H30O2 — CID 175112488

IUPAC3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one
SMILESCC1CCCCCC(C=C=O)CCCCCCC(=O)C1
InChIInChI=1S/C18H30O2/c1-16-9-5-4-7-11-17(13-14-19)10-6-2-3-8-12-18(20)15-16/h13,16-17H,2-12,15H2,1H3
InChIKeyIQHOYHNXXGPGTM-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.89
Rot. Bonds1

About 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one

3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one (PubChem CID 175112488) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one.

Molecular Properties

Compound Name3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one
PubChem CID175112488
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one
SMILESCC1CCCCCC(C=C=O)CCCCCCC(=O)C1
InChIInChI=1S/C18H30O2/c1-16-9-5-4-7-11-17(13-14-19)10-6-2-3-8-12-18(20)15-16/h13,16-17H,2-12,15H2,1H3
InChIKeyIQHOYHNXXGPGTM-UHFFFAOYSA-N
XLogP4.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one?
The IUPAC name of 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one (CID 175112488) is 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one.
What is the SMILES notation for 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one?
The canonical SMILES for 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one is CC1CCCCCC(C=C=O)CCCCCCC(=O)C1.
What is the InChIKey of 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one?
The InChIKey is IQHOYHNXXGPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-16-9-5-4-7-11-17(13-14-19)10-6-2-3-8-12-18(20)15-16/h13,16-17H,2-12,15H2,1H3.
What are the key properties of 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one?
3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one has a molecular weight of 278.44 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(2-oxoethenyl)cyclopentadecan-1-one is sourced from PubChem (CID 175112488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).