[(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol

C12H20O — CID 7188315

IUPAC[(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
SMILESCC1(C)[C@@H]2C3CCC(CO)(CC3)[C@H]21
InChIInChI=1S/C12H20O/c1-11(2)9-8-3-5-12(7-13,6-4-8)10(9)11/h8-10,13H,3-7H2,1-2H3/t8?,9-,10-,12?/m1/s1
InChIKeyFBIPUCLJOLSPKR-WDHPUFTPSA-N
MW180.29 g/mol
LogP2.44
Rot. Bonds1

About [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol

[(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol (PubChem CID 7188315) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol.

Molecular Properties

Compound Name[(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
PubChem CID7188315
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name[(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
SMILESCC1(C)[C@@H]2C3CCC(CO)(CC3)[C@H]21
InChIInChI=1S/C12H20O/c1-11(2)9-8-3-5-12(7-13,6-4-8)10(9)11/h8-10,13H,3-7H2,1-2H3/t8?,9-,10-,12?/m1/s1
InChIKeyFBIPUCLJOLSPKR-WDHPUFTPSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

[(2R,4S)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
CID 11889225
1-(hydroxymethyl)bicyclo[2.1.1]hexan-5-ol
CID 85373343
4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid
CID 175206014
[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol
CID 12644101
(1S,2S,4R,5R)-8-(hydroxymethyl)-3,3-dimethyltricyclo[3.2.1.02,4]octan-8-ol
CID 102328718
7-ethyl-1-methylbicyclo[2.2.1]heptane
CID 143617242
1-ethylbicyclo[2.2.0]hexane
CID 90977886
4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid
CID 114989210
3-methylbicyclo[4.1.0]heptane-3-carboxylic acid
CID 59761129
(1S,2S,4S,7R)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol
CID 129321284
(1S,2S,4S)-7-(hydroxymethyl)-1-methylbicyclo[2.2.1]heptan-2-ol
CID 130991408
(6-methyl-6-bicyclo[3.1.0]hexanyl)methanol
CID 75109427

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol?
The IUPAC name of [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol (CID 7188315) is [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol.
What is the SMILES notation for [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol?
The canonical SMILES for [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol is CC1(C)[C@@H]2C3CCC(CO)(CC3)[C@H]21.
What is the InChIKey of [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol?
The InChIKey is FBIPUCLJOLSPKR-WDHPUFTPSA-N. The full InChI is InChI=1S/C12H20O/c1-11(2)9-8-3-5-12(7-13,6-4-8)10(9)11/h8-10,13H,3-7H2,1-2H3/t8?,9-,10-,12?/m1/s1.
What are the key properties of [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol?
[(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol has a molecular weight of 180.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol is sourced from PubChem (CID 7188315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).