trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol

C8H16O2 — CID 102278367

IUPACtrans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol
SMILESCC1C[C@](C)(O)CC[C@@H]1O
InChIInChI=1S/C8H16O2/c1-6-5-8(2,10)4-3-7(6)9/h6-7,9-10H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyFQRJAHIUWGVOMU-ZHFSPANRSA-N
MW144.21 g/mol
LogP0.92
Rot. Bonds

About trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol

trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol (PubChem CID 102278367) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol.

Molecular Properties

Compound Nametrans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol
PubChem CID102278367
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nametrans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol
SMILESCC1C[C@](C)(O)CC[C@@H]1O
InChIInChI=1S/C8H16O2/c1-6-5-8(2,10)4-3-7(6)9/h6-7,9-10H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyFQRJAHIUWGVOMU-ZHFSPANRSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-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

(1R,3R,4R)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,3-diol
CID 86333734
4-ethenyl-2,4-dimethylcyclohexan-1-ol
CID 58534503
4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide
CID 144739612
(1S,2R,4R,6R)-4,6-dimethylcyclohexane-1,2,4-triol
CID 142953228
(3R)-1,3,4,5-tetramethylcyclohexan-1-ol
CID 70226236
cis-(3S,4R)-3,4-diamino-1-methylcyclohexan-1-ol
CID 55285612
(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 171591004
3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 155663554
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
CID 59138017
CID 59138017
(1S,2R,4R)-4-amino-2,4-dimethylcyclopentan-1-ol
CID 99995754
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109

Frequently Asked Questions

What is the IUPAC name of trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol?
The IUPAC name of trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol (CID 102278367) is trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol.
What is the SMILES notation for trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol?
The canonical SMILES for trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol is CC1C[C@](C)(O)CC[C@@H]1O.
What is the InChIKey of trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol?
The InChIKey is FQRJAHIUWGVOMU-ZHFSPANRSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-5-8(2,10)4-3-7(6)9/h6-7,9-10H,3-5H2,1-2H3/t6?,7-,8+/m0/s1.
What are the key properties of trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol?
trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol has a molecular weight of 144.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol is sourced from PubChem (CID 102278367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).