1-cyclopropyl-2-methylidenepentadecan-1-one

C19H34O — CID 67378956

IUPAC1-cyclopropyl-2-methylidenepentadecan-1-one
SMILESC=C(CCCCCCCCCCCCC)C(=O)C1CC1
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)19(20)18-15-16-18/h18H,2-16H2,1H3
InChIKeyPDXPQXFDOYMXPH-UHFFFAOYSA-N
MW278.48 g/mol
LogP6.22
Rot. Bonds14

About 1-cyclopropyl-2-methylidenepentadecan-1-one

1-cyclopropyl-2-methylidenepentadecan-1-one (PubChem CID 67378956) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylidenepentadecan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-2-methylidenepentadecan-1-one
PubChem CID67378956
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name1-cyclopropyl-2-methylidenepentadecan-1-one
SMILESC=C(CCCCCCCCCCCCC)C(=O)C1CC1
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)19(20)18-15-16-18/h18H,2-16H2,1H3
InChIKeyPDXPQXFDOYMXPH-UHFFFAOYSA-N
XLogP6.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
2-methylidenetetradecanoyl 2-methylidenetetradecanoate
CID 175288875
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
11-methylidenetricosan-12-one
CID 146586592
3-methylidenenonan-2-one
CID 3017847
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
1-cyclobutyldodecan-1-one
CID 115811550
methane;2-methylidenepentadecanethioic S-acid
CID 174335833
ethane;tetrakis(2-methylidenepentadecanethioic S-acid)
CID 173399640
methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate
CID 174928874
1-cyclohexyldecan-1-one
CID 63409715

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylidenepentadecan-1-one?
The IUPAC name of 1-cyclopropyl-2-methylidenepentadecan-1-one (CID 67378956) is 1-cyclopropyl-2-methylidenepentadecan-1-one.
What is the SMILES notation for 1-cyclopropyl-2-methylidenepentadecan-1-one?
The canonical SMILES for 1-cyclopropyl-2-methylidenepentadecan-1-one is C=C(CCCCCCCCCCCCC)C(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylidenepentadecan-1-one?
The InChIKey is PDXPQXFDOYMXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)19(20)18-15-16-18/h18H,2-16H2,1H3.
What are the key properties of 1-cyclopropyl-2-methylidenepentadecan-1-one?
1-cyclopropyl-2-methylidenepentadecan-1-one has a molecular weight of 278.48 g/mol, XLogP of 6.22, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylidenepentadecan-1-one is sourced from PubChem (CID 67378956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).