trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol

C10H20O2 — CID 130927478

IUPACtrans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
SMILESCC(C)[C@@H]1CC[C@@H](C)C(O)C1O
InChIInChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3/t7-,8+,9?,10?/m1/s1
InChIKeyWQFGPARDTSBVLU-XHHQTKHESA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds1

About trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol

trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol (PubChem CID 130927478) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol.

Molecular Properties

Compound Nametrans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
PubChem CID130927478
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nametrans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
SMILESCC(C)[C@@H]1CC[C@@H](C)C(O)C1O
InChIInChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3/t7-,8+,9?,10?/m1/s1
InChIKeyWQFGPARDTSBVLU-XHHQTKHESA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 70559750
(2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol
CID 101233918
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
CID 58534554
(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol
CID 176720342
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
(1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid
CID 7054177
cis-(1R,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid
CID 89365384
(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
CID 143658128
(1R,2S,4aR,5R,8S,8aS)-2,5-dimethyl-8-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-1,5-diol
CID 21140311

Frequently Asked Questions

What is the IUPAC name of trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol?
The IUPAC name of trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol (CID 130927478) is trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol.
What is the SMILES notation for trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol?
The canonical SMILES for trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol is CC(C)[C@@H]1CC[C@@H](C)C(O)C1O.
What is the InChIKey of trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol?
The InChIKey is WQFGPARDTSBVLU-XHHQTKHESA-N. The full InChI is InChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3/t7-,8+,9?,10?/m1/s1.
What are the key properties of trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol?
trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol is sourced from PubChem (CID 130927478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).