(1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol

C13H26O — CID 6581896

IUPAC(1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C[C@@H]1C[C@@H](O)C[C@@H](C(C)C)C1
InChIInChI=1S/C13H26O/c1-9(2)5-11-6-12(10(3)4)8-13(14)7-11/h9-14H,5-8H2,1-4H3/t11-,12-,13+/m0/s1
InChIKeyMCWJUBQOTUYWAC-RWMBFGLXSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds3

About (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol

(1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol (PubChem CID 6581896) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol
PubChem CID6581896
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C[C@@H]1C[C@@H](O)C[C@@H](C(C)C)C1
InChIInChI=1S/C13H26O/c1-9(2)5-11-6-12(10(3)4)8-13(14)7-11/h9-14H,5-8H2,1-4H3/t11-,12-,13+/m0/s1
InChIKeyMCWJUBQOTUYWAC-RWMBFGLXSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Menthol
CID 1254
(-)-Menthol
CID 16666
3,3,5-Trimethylcyclohexanol
CID 8298
(+)-Neomenthol
CID 439263
(+)-Menthol
CID 165675
P-Menthane-3,8-diol
CID 556998
Isomenthol, (+)-
CID 45056
Neoisomenthol
CID 19244
Menthoglycol
CID 19100
Isomenthol
CID 6432468
4-tert-Butylcyclohexanol
CID 7391
(-)-Neomenthol
CID 6566020

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol (CID 6581896) is (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol is CC(C)C[C@@H]1C[C@@H](O)C[C@@H](C(C)C)C1.
What is the InChIKey of (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol?
The InChIKey is MCWJUBQOTUYWAC-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H26O/c1-9(2)5-11-6-12(10(3)4)8-13(14)7-11/h9-14H,5-8H2,1-4H3/t11-,12-,13+/m0/s1.
What are the key properties of (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol?
(1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-3-(2-methylpropyl)-5-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 6581896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).