(7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene

C15H26O — CID 21295060

IUPAC(7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene
SMILESC1=C\CCCCCC2OC2CCCCCC/1
InChIInChI=1S/C15H26O/c1-2-4-6-8-10-12-14-15(16-14)13-11-9-7-5-3-1/h1-2,14-15H,3-13H2/b2-1-
InChIKeyNCGQTXHIOQZATM-UPHRSURJSA-N
MW222.37 g/mol
LogP4.61
Rot. Bonds

About (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene

(7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene (PubChem CID 21295060) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene.

Molecular Properties

Compound Name(7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene
PubChem CID21295060
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene
SMILESC1=C\CCCCCC2OC2CCCCCC/1
InChIInChI=1S/C15H26O/c1-2-4-6-8-10-12-14-15(16-14)13-11-9-7-5-3-1/h1-2,14-15H,3-13H2/b2-1-
InChIKeyNCGQTXHIOQZATM-UPHRSURJSA-N
XLogP4.61
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.61
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 (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene?
The IUPAC name of (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene (CID 21295060) is (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene.
What is the SMILES notation for (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene?
The canonical SMILES for (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene is C1=C\CCCCCC2OC2CCCCCC/1.
What is the InChIKey of (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene?
The InChIKey is NCGQTXHIOQZATM-UPHRSURJSA-N. The full InChI is InChI=1S/C15H26O/c1-2-4-6-8-10-12-14-15(16-14)13-11-9-7-5-3-1/h1-2,14-15H,3-13H2/b2-1-.
What are the key properties of (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene?
(7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene has a molecular weight of 222.37 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-16-oxabicyclo[13.1.0]hexadec-7-ene is sourced from PubChem (CID 21295060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).