(2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol

C14H28O2 — CID 101233918

IUPAC(2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C(O)[C@H]1C(O)[C@@H](C(C)C)CC[C@H]1C
InChIInChI=1S/C14H28O2/c1-8(2)11-7-6-10(5)12(14(11)16)13(15)9(3)4/h8-16H,6-7H2,1-5H3/t10-,11-,12+,13?,14?/m1/s1
InChIKeyKQCMMDIPEWQRFL-BFKVFCTQSA-N
MW228.38 g/mol
LogP2.68
Rot. Bonds3

About (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol

(2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol (PubChem CID 101233918) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol
PubChem CID101233918
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C(O)[C@H]1C(O)[C@@H](C(C)C)CC[C@H]1C
InChIInChI=1S/C14H28O2/c1-8(2)11-7-6-10(5)12(14(11)16)13(15)9(3)4/h8-16H,6-7H2,1-5H3/t10-,11-,12+,13?,14?/m1/s1
InChIKeyKQCMMDIPEWQRFL-BFKVFCTQSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol with MolForge

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Related Compounds

trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 70559750
trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 130927478
(2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol
CID 101233917
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
trans-(3R,6S)-3-methyl-2-[(4-methylpiperazin-1-yl)-phenylmethyl]-6-propan-2-ylcyclohexan-1-ol
CID 10246930
(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol
CID 176720342
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol
CID 90951781
cis-(1R,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid
CID 89365384
(1S,2S,5R)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylic acid
CID 7054177
(2S)-2-amino-1-(2-methylcyclobutyl)propan-1-ol
CID 68606405

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol (CID 101233918) is (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol is CC(C)C(O)[C@H]1C(O)[C@@H](C(C)C)CC[C@H]1C.
What is the InChIKey of (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol?
The InChIKey is KQCMMDIPEWQRFL-BFKVFCTQSA-N. The full InChI is InChI=1S/C14H28O2/c1-8(2)11-7-6-10(5)12(14(11)16)13(15)9(3)4/h8-16H,6-7H2,1-5H3/t10-,11-,12+,13?,14?/m1/s1.
What are the key properties of (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol?
(2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-2-(1-hydroxy-2-methylpropyl)-3-methyl-6-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 101233918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).