(1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one

C15H20O — CID 95565388

IUPAC(1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one
SMILESO=C1C=C2CCCCCCC[C@@]3(C=C[C@@H]13)C2
InChIInChI=1S/C15H20O/c16-14-10-12-6-4-2-1-3-5-8-15(11-12)9-7-13(14)15/h7,9-10,13H,1-6,8,11H2/t13-,15+/m0/s1
InChIKeyIKFPUHFYHPVOAW-DZGCQCFKSA-N
MW216.32 g/mol
LogP3.80
Rot. Bonds

About (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one

(1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one (PubChem CID 95565388) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one.

Molecular Properties

Compound Name(1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one
PubChem CID95565388
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one
SMILESO=C1C=C2CCCCCCC[C@@]3(C=C[C@@H]13)C2
InChIInChI=1S/C15H20O/c16-14-10-12-6-4-2-1-3-5-8-15(11-12)9-7-13(14)15/h7,9-10,13H,1-6,8,11H2/t13-,15+/m0/s1
InChIKeyIKFPUHFYHPVOAW-DZGCQCFKSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.80
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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CID 95565391
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CID 15759179
8a-methyl-1,4,5,6,7,8-hexahydroazulen-2-one
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2,2a,5,6,7,8-hexahydro-1H-cyclobuta[i]inden-3-one
CID 130029176
spiro[2.7]decan-9-one
CID 130028945
spiro[5.6]dodecane-5,12-dione
CID 534624
spiro[13.14]octacosan-28-one
CID 12738452
bicyclo[5.2.1]dec-7-en-1-ol
CID 71323945
4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 22950908
(7aS)-7a-methyl-4,5,6,7-tetrahydro-1H-inden-2-one
CID 22216641
2-oxo-4,5,6,7,8,9-hexahydro-3H-benzo[7]annulene-4a-carbonitrile
CID 101229953
cyclohexane;cyclohexanone;sulfane
CID 175236228

Frequently Asked Questions

What is the IUPAC name of (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one?
The IUPAC name of (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one (CID 95565388) is (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one.
What is the SMILES notation for (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one?
The canonical SMILES for (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one is O=C1C=C2CCCCCCC[C@@]3(C=C[C@@H]13)C2.
What is the InChIKey of (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one?
The InChIKey is IKFPUHFYHPVOAW-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H20O/c16-14-10-12-6-4-2-1-3-5-8-15(11-12)9-7-13(14)15/h7,9-10,13H,1-6,8,11H2/t13-,15+/m0/s1.
What are the key properties of (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one?
(1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one has a molecular weight of 216.32 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one is sourced from PubChem (CID 95565388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).