(4Z)-3-methylcyclopentadec-4-en-1-one

C16H28O — CID 6504767

IUPAC(4Z)-3-methylcyclopentadec-4-en-1-one
SMILESCC1/C=C\CCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h10,12,15H,2-9,11,13-14H2,1H3/b12-10-
InChIKeyJRQWMYKJVZYCDE-BENRWUELSA-N
MW236.40 g/mol
LogP5.05
Rot. Bonds

About (4Z)-3-methylcyclopentadec-4-en-1-one

(4Z)-3-methylcyclopentadec-4-en-1-one (PubChem CID 6504767) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (4Z)-3-methylcyclopentadec-4-en-1-one.

Molecular Properties

Compound Name(4Z)-3-methylcyclopentadec-4-en-1-one
PubChem CID6504767
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(4Z)-3-methylcyclopentadec-4-en-1-one
SMILESCC1/C=C\CCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h10,12,15H,2-9,11,13-14H2,1H3/b12-10-
InChIKeyJRQWMYKJVZYCDE-BENRWUELSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-methylcyclopentadec-4-en-1-one?
The IUPAC name of (4Z)-3-methylcyclopentadec-4-en-1-one (CID 6504767) is (4Z)-3-methylcyclopentadec-4-en-1-one.
What is the SMILES notation for (4Z)-3-methylcyclopentadec-4-en-1-one?
The canonical SMILES for (4Z)-3-methylcyclopentadec-4-en-1-one is CC1/C=C\CCCCCCCCCCC(=O)C1.
What is the InChIKey of (4Z)-3-methylcyclopentadec-4-en-1-one?
The InChIKey is JRQWMYKJVZYCDE-BENRWUELSA-N. The full InChI is InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h10,12,15H,2-9,11,13-14H2,1H3/b12-10-.
What are the key properties of (4Z)-3-methylcyclopentadec-4-en-1-one?
(4Z)-3-methylcyclopentadec-4-en-1-one has a molecular weight of 236.40 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-methylcyclopentadec-4-en-1-one is sourced from PubChem (CID 6504767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).