(10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one

C18H28O2 — CID 23655270

IUPAC(10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one
SMILESCC/C=C\C[C@H]1/C=C/C=C\CCCCCCCC(=O)O1
InChIInChI=1S/C18H28O2/c1-2-3-11-14-17-15-12-9-7-5-4-6-8-10-13-16-18(19)20-17/h3,7,9,11-12,15,17H,2,4-6,8,10,13-14,16H2,1H3/b9-7-,11-3-,15-12+/t17-/m0/s1
InChIKeyAEOCGZGNXNIVTO-FQSPHKRJSA-N
MW276.42 g/mol
LogP5.11
Rot. Bonds3

About (10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one

(10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one (PubChem CID 23655270) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one.

Molecular Properties

Compound Name(10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one
PubChem CID23655270
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one
SMILESCC/C=C\C[C@H]1/C=C/C=C\CCCCCCCC(=O)O1
InChIInChI=1S/C18H28O2/c1-2-3-11-14-17-15-12-9-7-5-4-6-8-10-13-16-18(19)20-17/h3,7,9,11-12,15,17H,2,4-6,8,10,13-14,16H2,1H3/b9-7-,11-3-,15-12+/t17-/m0/s1
InChIKeyAEOCGZGNXNIVTO-FQSPHKRJSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.11
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,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one?
The IUPAC name of (10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one (CID 23655270) is (10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one.
What is the SMILES notation for (10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one?
The canonical SMILES for (10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one is CC/C=C\C[C@H]1/C=C/C=C\CCCCCCCC(=O)O1.
What is the InChIKey of (10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one?
The InChIKey is AEOCGZGNXNIVTO-FQSPHKRJSA-N. The full InChI is InChI=1S/C18H28O2/c1-2-3-11-14-17-15-12-9-7-5-4-6-8-10-13-16-18(19)20-17/h3,7,9,11-12,15,17H,2,4-6,8,10,13-14,16H2,1H3/b9-7-,11-3-,15-12+/t17-/m0/s1.
What are the key properties of (10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one?
(10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one has a molecular weight of 276.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12E,14S)-14-[(Z)-pent-2-enyl]-1-oxacyclotetradeca-10,12-dien-2-one is sourced from PubChem (CID 23655270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).