(5E)-cycloheptadec-5-en-1-one

C17H30O — CID 13199934

IUPAC(5E)-cycloheptadec-5-en-1-one
SMILESO=C1CCC/C=C/CCCCCCCCCCC1
InChIInChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h7,9H,1-6,8,10-16H2/b9-7+
InChIKeyBFYMLGMASVWFSC-VQHVLOKHSA-N
MW250.43 g/mol
LogP5.59
Rot. Bonds

About (5E)-cycloheptadec-5-en-1-one

(5E)-cycloheptadec-5-en-1-one (PubChem CID 13199934) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (5E)-cycloheptadec-5-en-1-one.

Molecular Properties

Compound Name(5E)-cycloheptadec-5-en-1-one
PubChem CID13199934
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(5E)-cycloheptadec-5-en-1-one
SMILESO=C1CCC/C=C/CCCCCCCCCCC1
InChIInChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h7,9H,1-6,8,10-16H2/b9-7+
InChIKeyBFYMLGMASVWFSC-VQHVLOKHSA-N
XLogP5.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.59
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 (5E)-cycloheptadec-5-en-1-one?
The IUPAC name of (5E)-cycloheptadec-5-en-1-one (CID 13199934) is (5E)-cycloheptadec-5-en-1-one.
What is the SMILES notation for (5E)-cycloheptadec-5-en-1-one?
The canonical SMILES for (5E)-cycloheptadec-5-en-1-one is O=C1CCC/C=C/CCCCCCCCCCC1.
What is the InChIKey of (5E)-cycloheptadec-5-en-1-one?
The InChIKey is BFYMLGMASVWFSC-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h7,9H,1-6,8,10-16H2/b9-7+.
What are the key properties of (5E)-cycloheptadec-5-en-1-one?
(5E)-cycloheptadec-5-en-1-one has a molecular weight of 250.43 g/mol, XLogP of 5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-cycloheptadec-5-en-1-one is sourced from PubChem (CID 13199934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).