(10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one

C14H12O — CID 10375433

IUPAC(10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one
SMILESO=C1CCC23C=Cc4ccccc4[C@H]2[C@H]13
InChIInChI=1S/C14H12O/c15-11-6-8-14-7-5-9-3-1-2-4-10(9)12(14)13(11)14/h1-5,7,12-13H,6,8H2/t12-,13-,14?/m0/s1
InChIKeyOBQOTPXJDVGQEV-RFHHWMCGSA-N
MW196.25 g/mol
LogP2.78
Rot. Bonds

About (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one

(10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one (PubChem CID 10375433) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one.

Molecular Properties

Compound Name(10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one
PubChem CID10375433
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name(10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one
SMILESO=C1CCC23C=Cc4ccccc4[C@H]2[C@H]13
InChIInChI=1S/C14H12O/c15-11-6-8-14-7-5-9-3-1-2-4-10(9)12(14)13(11)14/h1-5,7,12-13H,6,8H2/t12-,13-,14?/m0/s1
InChIKeyOBQOTPXJDVGQEV-RFHHWMCGSA-N
XLogP2.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one with MolForge

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Related Compounds

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CID 90281446
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CID 10636703
1H-inden-1-amine
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8-thiatetracyclo[7.4.0.01,10.02,7]trideca-2,4,6-trien-11-one
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1-methanidyl-1H-indene;zirconium
CID 172710761
CID 58581388
CID 58581388
(4aS,10aS)-10a-methyl-4,4a,9,10-tetrahydrophenanthren-3-one
CID 10727270

Frequently Asked Questions

What is the IUPAC name of (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one?
The IUPAC name of (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one (CID 10375433) is (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one.
What is the SMILES notation for (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one?
The canonical SMILES for (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one is O=C1CCC23C=Cc4ccccc4[C@H]2[C@H]13.
What is the InChIKey of (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one?
The InChIKey is OBQOTPXJDVGQEV-RFHHWMCGSA-N. The full InChI is InChI=1S/C14H12O/c15-11-6-8-14-7-5-9-3-1-2-4-10(9)12(14)13(11)14/h1-5,7,12-13H,6,8H2/t12-,13-,14?/m0/s1.
What are the key properties of (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one?
(10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one has a molecular weight of 196.25 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11S)-tetracyclo[8.4.0.01,11.04,9]tetradeca-2,4,6,8-tetraen-12-one is sourced from PubChem (CID 10375433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).