[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol

C10H20O — CID 129322383

IUPAC[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
SMILESC[C@@H]1CC[C@](C)(CO)C[C@H]1C
InChIInChI=1S/C10H20O/c1-8-4-5-10(3,7-11)6-9(8)2/h8-9,11H,4-7H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyNGCVRRIWVLXDAH-BBBLOLIVSA-N
MW156.27 g/mol
LogP2.44
Rot. Bonds1

About [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol

[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol (PubChem CID 129322383) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
PubChem CID129322383
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
SMILESC[C@@H]1CC[C@](C)(CO)C[C@H]1C
InChIInChI=1S/C10H20O/c1-8-4-5-10(3,7-11)6-9(8)2/h8-9,11H,4-7H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyNGCVRRIWVLXDAH-BBBLOLIVSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,5R)-5-ethyl-2,5-dimethylcyclohexan-1-ol
CID 130762477
1-fluoro-3,4-dimethylcyclohexane-1-carboxylic acid
CID 89159789
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
CID 124508954
[1-(cyclohexylamino)-3,4-dimethylcyclohexyl]methanol
CID 64745681
(1,3,5-trimethylpyrrolidin-3-yl)methanol
CID 72524820
[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
CID 139437917
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
[2-(hydroxymethyl)-3,4-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 139754074
5-amino-5-(hydroxymethyl)-2-methylcyclohexan-1-ol
CID 165490955
(4-butyl-1-methylcyclohexyl)methanol
CID 66025172
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
(1-methylcyclododecyl)methanol
CID 70130772

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol?
The IUPAC name of [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol (CID 129322383) is [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol.
What is the SMILES notation for [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol?
The canonical SMILES for [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol is C[C@@H]1CC[C@](C)(CO)C[C@H]1C.
What is the InChIKey of [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol?
The InChIKey is NGCVRRIWVLXDAH-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H20O/c1-8-4-5-10(3,7-11)6-9(8)2/h8-9,11H,4-7H2,1-3H3/t8-,9-,10+/m1/s1.
What are the key properties of [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol?
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol has a molecular weight of 156.27 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 [(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol is sourced from PubChem (CID 129322383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).