(2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one

C17H26O2 — CID 87253847

IUPAC(2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one
SMILESO=C1OC2CCCCCCC/C=C\CCC/C=C/C12
InChIInChI=1S/C17H26O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19-17/h1,3,11,13,15-16H,2,4-10,12,14H2/b3-1-,13-11+
InChIKeyXPNXAHMMVFXULU-NTXDGMDFSA-N
MW262.39 g/mol
LogP4.55
Rot. Bonds

About (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one

(2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one (PubChem CID 87253847) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one.

Molecular Properties

Compound Name(2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one
PubChem CID87253847
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one
SMILESO=C1OC2CCCCCCC/C=C\CCC/C=C/C12
InChIInChI=1S/C17H26O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19-17/h1,3,11,13,15-16H,2,4-10,12,14H2/b3-1-,13-11+
InChIKeyXPNXAHMMVFXULU-NTXDGMDFSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.55
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 (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one?
The IUPAC name of (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one (CID 87253847) is (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one.
What is the SMILES notation for (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one?
The canonical SMILES for (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one is O=C1OC2CCCCCCC/C=C\CCC/C=C/C12.
What is the InChIKey of (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one?
The InChIKey is XPNXAHMMVFXULU-NTXDGMDFSA-N. The full InChI is InChI=1S/C17H26O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19-17/h1,3,11,13,15-16H,2,4-10,12,14H2/b3-1-,13-11+.
What are the key properties of (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one?
(2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one has a molecular weight of 262.39 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-17-oxabicyclo[14.2.0]octadeca-2,7-dien-18-one is sourced from PubChem (CID 87253847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).