(1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one

C18H22O2 — CID 102226302

IUPAC(1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
SMILESO=C1C=C[C@@H]2O[C@H]1C1C(=C3CCCCCCC3)C=CC12
InChIInChI=1S/C18H22O2/c19-15-10-11-16-14-9-8-13(17(14)18(15)20-16)12-6-4-2-1-3-5-7-12/h8-11,14,16-18H,1-7H2/t14?,16-,17?,18+/m0/s1
InChIKeyKLSPDJKPWOKLDL-ZLGJRNTRSA-N
MW270.37 g/mol
LogP3.74
Rot. Bonds

About (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one

(1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one (PubChem CID 102226302) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one.

Molecular Properties

Compound Name(1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
PubChem CID102226302
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
SMILESO=C1C=C[C@@H]2O[C@H]1C1C(=C3CCCCCCC3)C=CC12
InChIInChI=1S/C18H22O2/c19-15-10-11-16-14-9-8-13(17(14)18(15)20-16)12-6-4-2-1-3-5-7-12/h8-11,14,16-18H,1-7H2/t14?,16-,17?,18+/m0/s1
InChIKeyKLSPDJKPWOKLDL-ZLGJRNTRSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one?
The IUPAC name of (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one (CID 102226302) is (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one.
What is the SMILES notation for (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one?
The canonical SMILES for (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one is O=C1C=C[C@@H]2O[C@H]1C1C(=C3CCCCCCC3)C=CC12.
What is the InChIKey of (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one?
The InChIKey is KLSPDJKPWOKLDL-ZLGJRNTRSA-N. The full InChI is InChI=1S/C18H22O2/c19-15-10-11-16-14-9-8-13(17(14)18(15)20-16)12-6-4-2-1-3-5-7-12/h8-11,14,16-18H,1-7H2/t14?,16-,17?,18+/m0/s1.
What are the key properties of (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one?
(1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one has a molecular weight of 270.37 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one is sourced from PubChem (CID 102226302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).