trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol

C10H20O2 — CID 6431599

IUPACtrans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
SMILESCC(C)C1C[C@@H](O)C(C)[C@H](O)C1
InChIInChI=1S/C10H20O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h6-12H,4-5H2,1-3H3/t7?,8?,9-,10-/m1/s1
InChIKeyQDEZZHJGBWQYDV-YDYPAMBWSA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds1

About trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol

trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol (PubChem CID 6431599) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
PubChem CID6431599
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nametrans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
SMILESCC(C)C1C[C@@H](O)C(C)[C@H](O)C1
InChIInChI=1S/C10H20O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h6-12H,4-5H2,1-3H3/t7?,8?,9-,10-/m1/s1
InChIKeyQDEZZHJGBWQYDV-YDYPAMBWSA-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

Analyze trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Menthol
CID 1254
(-)-Menthol
CID 16666
(+)-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
(-)-Neomenthol
CID 6566020
(+-)-Neoisomenthol
CID 1715097
2-Methyl-5-(propan-2-yl)cyclohexan-1-ol
CID 86850

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol?
The IUPAC name of trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol (CID 6431599) is trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol.
What is the SMILES notation for trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol?
The canonical SMILES for trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol is CC(C)C1C[C@@H](O)C(C)[C@H](O)C1.
What is the InChIKey of trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol?
The InChIKey is QDEZZHJGBWQYDV-YDYPAMBWSA-N. The full InChI is InChI=1S/C10H20O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h6-12H,4-5H2,1-3H3/t7?,8?,9-,10-/m1/s1.
What are the key properties of trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol?
trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-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-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol is sourced from PubChem (CID 6431599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).