(5Z)-3-methylcyclotetradec-5-en-1-one

C15H26O — CID 11855994

IUPAC(5Z)-3-methylcyclotetradec-5-en-1-one
SMILESCC1C/C=C\CCCCCCCCC(=O)C1
InChIInChI=1S/C15H26O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h7,9,14H,2-6,8,10-13H2,1H3/b9-7-
InChIKeyZFGBKXBPHOUSJX-CLFYSBASSA-N
MW222.37 g/mol
LogP4.66
Rot. Bonds

About (5Z)-3-methylcyclotetradec-5-en-1-one

(5Z)-3-methylcyclotetradec-5-en-1-one (PubChem CID 11855994) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (5Z)-3-methylcyclotetradec-5-en-1-one.

Molecular Properties

Compound Name(5Z)-3-methylcyclotetradec-5-en-1-one
PubChem CID11855994
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(5Z)-3-methylcyclotetradec-5-en-1-one
SMILESCC1C/C=C\CCCCCCCCC(=O)C1
InChIInChI=1S/C15H26O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h7,9,14H,2-6,8,10-13H2,1H3/b9-7-
InChIKeyZFGBKXBPHOUSJX-CLFYSBASSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.66
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 (5Z)-3-methylcyclotetradec-5-en-1-one?
The IUPAC name of (5Z)-3-methylcyclotetradec-5-en-1-one (CID 11855994) is (5Z)-3-methylcyclotetradec-5-en-1-one.
What is the SMILES notation for (5Z)-3-methylcyclotetradec-5-en-1-one?
The canonical SMILES for (5Z)-3-methylcyclotetradec-5-en-1-one is CC1C/C=C\CCCCCCCCC(=O)C1.
What is the InChIKey of (5Z)-3-methylcyclotetradec-5-en-1-one?
The InChIKey is ZFGBKXBPHOUSJX-CLFYSBASSA-N. The full InChI is InChI=1S/C15H26O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h7,9,14H,2-6,8,10-13H2,1H3/b9-7-.
What are the key properties of (5Z)-3-methylcyclotetradec-5-en-1-one?
(5Z)-3-methylcyclotetradec-5-en-1-one has a molecular weight of 222.37 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methylcyclotetradec-5-en-1-one is sourced from PubChem (CID 11855994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).