(2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one

C17H26O3 — CID 23567726

IUPAC(2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one
SMILESO=C1OC2/C=C\CCCCCCCCCC/C=C\C2O1
InChIInChI=1S/C17H26O3/c18-17-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)20-17/h11-16H,1-10H2/b13-11-,14-12-
InChIKeyAWJITBGDPMEDCH-XSYHWHKQSA-N
MW278.39 g/mol
LogP4.92
Rot. Bonds

About (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one

(2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one (PubChem CID 23567726) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one.

Molecular Properties

Compound Name(2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one
PubChem CID23567726
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one
SMILESO=C1OC2/C=C\CCCCCCCCCC/C=C\C2O1
InChIInChI=1S/C17H26O3/c18-17-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)20-17/h11-16H,1-10H2/b13-11-,14-12-
InChIKeyAWJITBGDPMEDCH-XSYHWHKQSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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(3aS,7Z,15aS)-3-methylidene-3a,4,5,6,9,10,11,12,13,14,15,15a-dodecahydrocyclotetradeca[b]furan-2-one
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Frequently Asked Questions

What is the IUPAC name of (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one?
The IUPAC name of (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one (CID 23567726) is (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one.
What is the SMILES notation for (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one?
The canonical SMILES for (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one is O=C1OC2/C=C\CCCCCCCCCC/C=C\C2O1.
What is the InChIKey of (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one?
The InChIKey is AWJITBGDPMEDCH-XSYHWHKQSA-N. The full InChI is InChI=1S/C17H26O3/c18-17-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)20-17/h11-16H,1-10H2/b13-11-,14-12-.
What are the key properties of (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one?
(2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one has a molecular weight of 278.39 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one is sourced from PubChem (CID 23567726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).