(1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene

C21H38O — CID 135063758

IUPAC(1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene
SMILESC1=C2/CCCCCCCCC/1CCCCCOCCCCC2
InChIInChI=1S/C21H38O/c1-2-4-8-14-21-16-10-6-12-18-22-17-11-5-9-15-20(19-21)13-7-3-1/h19-20H,1-18H2/b21-19-
InChIKeyPUBMFZNHPNDPET-VZCXRCSSSA-N
MW306.53 g/mol
LogP6.81
Rot. Bonds

About (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene

(1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene (PubChem CID 135063758) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene.

Molecular Properties

Compound Name(1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene
PubChem CID135063758
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name(1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene
SMILESC1=C2/CCCCCCCCC/1CCCCCOCCCCC2
InChIInChI=1S/C21H38O/c1-2-4-8-14-21-16-10-6-12-18-22-17-11-5-9-15-20(19-21)13-7-3-1/h19-20H,1-18H2/b21-19-
InChIKeyPUBMFZNHPNDPET-VZCXRCSSSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene?
The IUPAC name of (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene (CID 135063758) is (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene.
What is the SMILES notation for (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene?
The canonical SMILES for (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene is C1=C2/CCCCCCCCC/1CCCCCOCCCCC2.
What is the InChIKey of (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene?
The InChIKey is PUBMFZNHPNDPET-VZCXRCSSSA-N. The full InChI is InChI=1S/C21H38O/c1-2-4-8-14-21-16-10-6-12-18-22-17-11-5-9-15-20(19-21)13-7-3-1/h19-20H,1-18H2/b21-19-.
What are the key properties of (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene?
(1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene has a molecular weight of 306.53 g/mol, XLogP of 6.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-7-oxabicyclo[11.8.1]docos-1(22)-ene is sourced from PubChem (CID 135063758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).