(2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol

C12H20O — CID 6711372

IUPAC(2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol
SMILESC[C@@]1(O)CC[C@]2(C)C3CCCC3[C@H]12
InChIInChI=1S/C12H20O/c1-11-6-7-12(2,13)10(11)8-4-3-5-9(8)11/h8-10,13H,3-7H2,1-2H3/t8?,9?,10-,11+,12+/m0/s1
InChIKeyFQXBWZZZRBCNIJ-JEDMMJBGSA-N
MW180.29 g/mol
LogP2.58
Rot. Bonds

About (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol

(2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol (PubChem CID 6711372) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol.

Molecular Properties

Compound Name(2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol
PubChem CID6711372
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol
SMILESC[C@@]1(O)CC[C@]2(C)C3CCCC3[C@H]12
InChIInChI=1S/C12H20O/c1-11-6-7-12(2,13)10(11)8-4-3-5-9(8)11/h8-10,13H,3-7H2,1-2H3/t8?,9?,10-,11+,12+/m0/s1
InChIKeyFQXBWZZZRBCNIJ-JEDMMJBGSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (1R,2R,6S,7R,8S)-8-hydroxy-8-methyltricyclo[5.3.0.02,6]decane-1-carboxylate
CID 102159304
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
(14S,15R)-10,13,15-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-ol
CID 23738055
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
(1R,4S,4aR,8aR)-4-chloro-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 101254788
(5R,8R,9S,10S,13R,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthrene-15,15-diol
CID 154084335
(5R,8S,10S,11S,13S,14S,17S)-10,11,13,17-tetramethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-diol
CID 50990049
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
3-cyclohexyl-1,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 145299659
7,8-dimethyltricyclo[5.2.1.02,6]decan-8-ol
CID 89182118
6-methyltricyclo[4.4.0.02,7]decan-3-ol
CID 121218890
(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 70568002

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol?
The IUPAC name of (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol (CID 6711372) is (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol.
What is the SMILES notation for (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol?
The canonical SMILES for (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol is C[C@@]1(O)CC[C@]2(C)C3CCCC3[C@H]12.
What is the InChIKey of (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol?
The InChIKey is FQXBWZZZRBCNIJ-JEDMMJBGSA-N. The full InChI is InChI=1S/C12H20O/c1-11-6-7-12(2,13)10(11)8-4-3-5-9(8)11/h8-10,13H,3-7H2,1-2H3/t8?,9?,10-,11+,12+/m0/s1.
What are the key properties of (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol?
(2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol has a molecular weight of 180.29 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-3,6-dimethyltricyclo[5.3.0.02,6]decan-3-ol is sourced from PubChem (CID 6711372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).