(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene

C16H28O — CID 173496111

IUPAC(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene
SMILESC1=CCCCCCC[C@@H]2OC2CCCCCC1
InChIInChI=1S/C16H28O/c1-2-4-6-8-10-12-14-16-15(17-16)13-11-9-7-5-3-1/h1-2,15-16H,3-14H2/t15-,16?/m0/s1
InChIKeyQJDXLECULVHLTA-VYRBHSGPSA-N
MW236.40 g/mol
LogP5.00
Rot. Bonds

About (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene

(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene (PubChem CID 173496111) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene.

Molecular Properties

Compound Name(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene
PubChem CID173496111
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene
SMILESC1=CCCCCCC[C@@H]2OC2CCCCCC1
InChIInChI=1S/C16H28O/c1-2-4-6-8-10-12-14-16-15(17-16)13-11-9-7-5-3-1/h1-2,15-16H,3-14H2/t15-,16?/m0/s1
InChIKeyQJDXLECULVHLTA-VYRBHSGPSA-N
XLogP5.00
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene?
The IUPAC name of (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene (CID 173496111) is (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene.
What is the SMILES notation for (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene?
The canonical SMILES for (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene is C1=CCCCCCC[C@@H]2OC2CCCCCC1.
What is the InChIKey of (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene?
The InChIKey is QJDXLECULVHLTA-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H28O/c1-2-4-6-8-10-12-14-16-15(17-16)13-11-9-7-5-3-1/h1-2,15-16H,3-14H2/t15-,16?/m0/s1.
What are the key properties of (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene?
(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene has a molecular weight of 236.40 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (16S)-17-oxabicyclo[14.1.0]heptadec-8-ene is sourced from PubChem (CID 173496111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).