(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol

C13H16O — CID 7055569

IUPAC(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
SMILESO[C@@]12CCCCC[C@@H]1c1ccccc12
InChIInChI=1S/C13H16O/c14-13-9-5-1-2-7-11(13)10-6-3-4-8-12(10)13/h3-4,6,8,11,14H,1-2,5,7,9H2/t11-,13+/m1/s1
InChIKeyJMTSXWGSSWFYNM-YPMHNXCESA-N
MW188.27 g/mol
LogP2.94
Rot. Bonds

About (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol

(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol (PubChem CID 7055569) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
PubChem CID7055569
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
SMILESO[C@@]12CCCCC[C@@H]1c1ccccc12
InChIInChI=1S/C13H16O/c14-13-9-5-1-2-7-11(13)10-6-3-4-8-12(10)13/h3-4,6,8,11,14H,1-2,5,7,9H2/t11-,13+/m1/s1
InChIKeyJMTSXWGSSWFYNM-YPMHNXCESA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol
CID 131886728
8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
CID 54289417
(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol
CID 130927469
2-cyclohexyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 60794929
cis-(1S,2S)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 21153344
(3aR,7aS,11bR)-11b-methyl-1,2,3,4,5,6,7,7a-octahydrofluoreno[9,8a-b]pyrrole
CID 59542372
1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261
1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol
CID 102094905
1-(2,5-dimethylphenyl)-2-phenylcyclohexan-1-ol
CID 63407170
2-methoxy-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 106873696
(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
CID 10567298

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol?
The IUPAC name of (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol (CID 7055569) is (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol.
What is the SMILES notation for (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol?
The canonical SMILES for (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol is O[C@@]12CCCCC[C@@H]1c1ccccc12.
What is the InChIKey of (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol?
The InChIKey is JMTSXWGSSWFYNM-YPMHNXCESA-N. The full InChI is InChI=1S/C13H16O/c14-13-9-5-1-2-7-11(13)10-6-3-4-8-12(10)13/h3-4,6,8,11,14H,1-2,5,7,9H2/t11-,13+/m1/s1.
What are the key properties of (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol?
(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol is sourced from PubChem (CID 7055569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).