(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one

C15H18O — CID 169445455

IUPAC(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
SMILESO=C1c2ccccc2CC[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C15H18O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1,3,5,7,12,14H,2,4,6,8-10H2/t12-,14+/m0/s1
InChIKeyDERKBZMWBHNMBF-GXTWGEPZSA-N
MW214.31 g/mol
LogP3.62
Rot. Bonds

About (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one

(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one (PubChem CID 169445455) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one.

Molecular Properties

Compound Name(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
PubChem CID169445455
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
SMILESO=C1c2ccccc2CC[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C15H18O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1,3,5,7,12,14H,2,4,6,8-10H2/t12-,14+/m0/s1
InChIKeyDERKBZMWBHNMBF-GXTWGEPZSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one?
The IUPAC name of (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one (CID 169445455) is (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one.
What is the SMILES notation for (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one?
The canonical SMILES for (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one is O=C1c2ccccc2CC[C@@H]2CCCC[C@@H]12.
What is the InChIKey of (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one?
The InChIKey is DERKBZMWBHNMBF-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H18O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1,3,5,7,12,14H,2,4,6,8-10H2/t12-,14+/m0/s1.
What are the key properties of (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one?
(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one has a molecular weight of 214.31 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one is sourced from PubChem (CID 169445455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).