(10Z)-1-oxacycloheptadec-10-en-2-one

C16H28O2 — CID 5355293

IUPAC(10Z)-1-oxacycloheptadec-10-en-2-one
SMILESO=C1CCCCCCC/C=C\CCCCCCO1
InChIInChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
InChIKeyQILMAYXCYBTEDM-IWQZZHSRSA-N
MW252.40 g/mol
LogP4.78
Rot. Bonds

About (10Z)-1-oxacycloheptadec-10-en-2-one

(10Z)-1-oxacycloheptadec-10-en-2-one (PubChem CID 5355293) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (10Z)-1-oxacycloheptadec-10-en-2-one.

Molecular Properties

Compound Name(10Z)-1-oxacycloheptadec-10-en-2-one
PubChem CID5355293
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(10Z)-1-oxacycloheptadec-10-en-2-one
SMILESO=C1CCCCCCC/C=C\CCCCCCO1
InChIInChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
InChIKeyQILMAYXCYBTEDM-IWQZZHSRSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (10Z)-1-oxacycloheptadec-10-en-2-one?
The IUPAC name of (10Z)-1-oxacycloheptadec-10-en-2-one (CID 5355293) is (10Z)-1-oxacycloheptadec-10-en-2-one.
What is the SMILES notation for (10Z)-1-oxacycloheptadec-10-en-2-one?
The canonical SMILES for (10Z)-1-oxacycloheptadec-10-en-2-one is O=C1CCCCCCC/C=C\CCCCCCO1.
What is the InChIKey of (10Z)-1-oxacycloheptadec-10-en-2-one?
The InChIKey is QILMAYXCYBTEDM-IWQZZHSRSA-N. The full InChI is InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-.
What are the key properties of (10Z)-1-oxacycloheptadec-10-en-2-one?
(10Z)-1-oxacycloheptadec-10-en-2-one has a molecular weight of 252.40 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-1-oxacycloheptadec-10-en-2-one is sourced from PubChem (CID 5355293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).