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

C15H16O2 — CID 102226300

IUPAC(1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
SMILESO=C1C=C[C@@H]2O[C@H]1C1C(=C3CCCC3)C=CC12
InChIInChI=1S/C15H16O2/c16-12-7-8-13-11-6-5-10(9-3-1-2-4-9)14(11)15(12)17-13/h5-8,11,13-15H,1-4H2/t11?,13-,14?,15+/m0/s1
InChIKeyMAXOYYQJNLFONM-KNZJIWTASA-N
MW228.29 g/mol
LogP2.57
Rot. Bonds

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

(1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one (PubChem CID 102226300) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one.

Molecular Properties

Compound Name(1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
PubChem CID102226300
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
SMILESO=C1C=C[C@@H]2O[C@H]1C1C(=C3CCCC3)C=CC12
InChIInChI=1S/C15H16O2/c16-12-7-8-13-11-6-5-10(9-3-1-2-4-9)14(11)15(12)17-13/h5-8,11,13-15H,1-4H2/t11?,13-,14?,15+/m0/s1
InChIKeyMAXOYYQJNLFONM-KNZJIWTASA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-Dithiolan-2-ylidene)-11-oxatricyclo[5.3.1.02,6]undeca-4,9-dien-8-one
CID 101865968
11-Oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
CID 130036435
(1S,7R)-11-oxatricyclo[5.3.1.01,5]undeca-4,8-dien-10-one
CID 130985797
(E)-1-[(1R,4S)-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl]but-2-en-1-one
CID 102118424
6-(Prop-1-en-2-yl)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031667
4-Methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 14315361
1-(2,6,6-Trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl)but-2-en-1-one
CID 71438477
(1S,7S)-5-cycloheptylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
CID 102226298
(1S,7S)-5-propan-2-ylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
CID 102226299
(1S,7S)-5-cyclohexylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
CID 102226301
(1S,7S)-5-cyclooctylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one
CID 102226302
6-Methylidene-11-oxatricyclo[5.3.1.01,5]undec-8-en-10-one
CID 130036457

Frequently Asked Questions

What is the IUPAC name of (1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one?
The IUPAC name of (1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one (CID 102226300) is (1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one.
What is the SMILES notation for (1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one?
The canonical SMILES for (1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one is O=C1C=C[C@@H]2O[C@H]1C1C(=C3CCCC3)C=CC12.
What is the InChIKey of (1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one?
The InChIKey is MAXOYYQJNLFONM-KNZJIWTASA-N. The full InChI is InChI=1S/C15H16O2/c16-12-7-8-13-11-6-5-10(9-3-1-2-4-9)14(11)15(12)17-13/h5-8,11,13-15H,1-4H2/t11?,13-,14?,15+/m0/s1.
What are the key properties of (1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one?
(1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one has a molecular weight of 228.29 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-5-cyclopentylidene-11-oxatricyclo[5.3.1.02,6]undeca-3,9-dien-8-one is sourced from PubChem (CID 102226300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).