17-oxabicyclo[14.2.0]octadec-7-en-18-one

C17H28O2 — CID 54283590

IUPAC17-oxabicyclo[14.2.0]octadec-7-en-18-one
SMILESO=C1OC2CCCCCCCC=CCCCCCC12
InChIInChI=1S/C17H28O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19-17/h1,3,15-16H,2,4-14H2
InChIKeyRSNFIZOJRCOARC-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.78
Rot. Bonds

About 17-oxabicyclo[14.2.0]octadec-7-en-18-one

17-oxabicyclo[14.2.0]octadec-7-en-18-one (PubChem CID 54283590) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 17-oxabicyclo[14.2.0]octadec-7-en-18-one.

Molecular Properties

Compound Name17-oxabicyclo[14.2.0]octadec-7-en-18-one
PubChem CID54283590
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name17-oxabicyclo[14.2.0]octadec-7-en-18-one
SMILESO=C1OC2CCCCCCCC=CCCCCCC12
InChIInChI=1S/C17H28O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19-17/h1,3,15-16H,2,4-14H2
InChIKeyRSNFIZOJRCOARC-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 17-oxabicyclo[14.2.0]octadec-7-en-18-one?
The IUPAC name of 17-oxabicyclo[14.2.0]octadec-7-en-18-one (CID 54283590) is 17-oxabicyclo[14.2.0]octadec-7-en-18-one.
What is the SMILES notation for 17-oxabicyclo[14.2.0]octadec-7-en-18-one?
The canonical SMILES for 17-oxabicyclo[14.2.0]octadec-7-en-18-one is O=C1OC2CCCCCCCC=CCCCCCC12.
What is the InChIKey of 17-oxabicyclo[14.2.0]octadec-7-en-18-one?
The InChIKey is RSNFIZOJRCOARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19-17/h1,3,15-16H,2,4-14H2.
What are the key properties of 17-oxabicyclo[14.2.0]octadec-7-en-18-one?
17-oxabicyclo[14.2.0]octadec-7-en-18-one has a molecular weight of 264.41 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 17-oxabicyclo[14.2.0]octadec-7-en-18-one is sourced from PubChem (CID 54283590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).