2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol

C12H20O — CID 130146858

IUPAC2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol
SMILESCC1CCC2C1C(O)C1CCC12C
InChIInChI=1S/C12H20O/c1-7-3-4-8-10(7)11(13)9-5-6-12(8,9)2/h7-11,13H,3-6H2,1-2H3
InChIKeyWCRRIYJYTGYWQS-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.44
Rot. Bonds

About 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol

2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol (PubChem CID 130146858) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol.

Molecular Properties

Compound Name2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol
PubChem CID130146858
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol
SMILESCC1CCC2C1C(O)C1CCC12C
InChIInChI=1S/C12H20O/c1-7-3-4-8-10(7)11(13)9-5-6-12(8,9)2/h7-11,13H,3-6H2,1-2H3
InChIKeyWCRRIYJYTGYWQS-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,5R,6R,7S,8S)-2,8-dimethyl-6-prop-1-en-2-yltricyclo[5.3.0.02,5]decane
CID 11458377
(3R,6R,10R,13S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,7,17-tetrol
CID 161393007
6-methyltricyclo[4.4.0.02,7]decan-3-ol
CID 121218890
(8R,9R,10R,13S,14S)-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 70359451
(1S,4R,5R,12S,16R,19S,20S,23R,24S,27R,28R,35S,39R,42S,43S,46R)-5,19,23,28,42,46-hexamethylnonacyclo[33.11.1.112,20.04,46.014,19.023,27.037,42.043,47.024,48]octatetracontane-16,39-diol
CID 130433202
(1aS,4R,4aS,7S,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
CID 162940151
(3S,6R,10R,13S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,4,6,7,17-pentol
CID 157107707
2,8-dimethyl-6-(6,10,14,18,22-pentamethyltricos-1-en-2-yl)tricyclo[5.3.0.02,5]decane
CID 162970843
1-tert-butyl-9-hydroxy-5b,8,8,11-tetramethyl-1,2,3,4,5,5a,6,7,7a,9,10,11,11a,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
CID 89483457
(3R,4R,5S,8R,9S,10R,13S,14S)-3,4-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 102402829
(3R,4R,5R,8R,9S,10R,13S,14S)-3,4-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 11109560
(5R,7S,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,17-diol
CID 67055732

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol?
The IUPAC name of 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol (CID 130146858) is 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol.
What is the SMILES notation for 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol?
The canonical SMILES for 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol is CC1CCC2C1C(O)C1CCC12C.
What is the InChIKey of 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol?
The InChIKey is WCRRIYJYTGYWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-7-3-4-8-10(7)11(13)9-5-6-12(8,9)2/h7-11,13H,3-6H2,1-2H3.
What are the key properties of 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol?
2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol has a molecular weight of 180.29 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol is sourced from PubChem (CID 130146858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).