(7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one

C17H24O2 — CID 87253823

IUPAC(7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one
SMILESO=C1OC2C/C=C\C/C=C\C/C=C\CCCCCC12
InChIInChI=1S/C17H24O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19-17/h1,3-4,6,10,12,15-16H,2,5,7-9,11,13-14H2/b3-1-,6-4-,12-10-
InChIKeyZEIMQGRQPWIUTP-DYRGNDFMSA-N
MW260.38 g/mol
LogP4.33
Rot. Bonds

About (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one

(7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one (PubChem CID 87253823) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one.

Molecular Properties

Compound Name(7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one
PubChem CID87253823
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one
SMILESO=C1OC2C/C=C\C/C=C\C/C=C\CCCCCC12
InChIInChI=1S/C17H24O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19-17/h1,3-4,6,10,12,15-16H,2,5,7-9,11,13-14H2/b3-1-,6-4-,12-10-
InChIKeyZEIMQGRQPWIUTP-DYRGNDFMSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.33
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 (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one?
The IUPAC name of (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one (CID 87253823) is (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one.
What is the SMILES notation for (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one?
The canonical SMILES for (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one is O=C1OC2C/C=C\C/C=C\C/C=C\CCCCCC12.
What is the InChIKey of (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one?
The InChIKey is ZEIMQGRQPWIUTP-DYRGNDFMSA-N. The full InChI is InChI=1S/C17H24O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19-17/h1,3-4,6,10,12,15-16H,2,5,7-9,11,13-14H2/b3-1-,6-4-,12-10-.
What are the key properties of (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one?
(7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one has a molecular weight of 260.38 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,13Z)-17-oxabicyclo[14.2.0]octadeca-7,10,13-trien-18-one is sourced from PubChem (CID 87253823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).