(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol

C10H20O2 — CID 10583336

IUPAC(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
SMILESCC(C)[C@@]1(O)C[C@](C)(O)C[C@H]1C
InChIInChI=1S/C10H20O2/c1-7(2)10(12)6-9(4,11)5-8(10)3/h7-8,11-12H,5-6H2,1-4H3/t8-,9-,10+/m1/s1
InChIKeyYDZIIXDHWDAYQK-BBBLOLIVSA-N
MW172.27 g/mol
LogP1.55
Rot. Bonds1

About (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol

(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol (PubChem CID 10583336) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol.

Molecular Properties

Compound Name(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
PubChem CID10583336
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
SMILESCC(C)[C@@]1(O)C[C@](C)(O)C[C@H]1C
InChIInChI=1S/C10H20O2/c1-7(2)10(12)6-9(4,11)5-8(10)3/h7-8,11-12H,5-6H2,1-4H3/t8-,9-,10+/m1/s1
InChIKeyYDZIIXDHWDAYQK-BBBLOLIVSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-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

(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol
CID 10486972
2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
2-methyl-1-pentan-3-ylcyclopropan-1-ol
CID 79332194
2,4,4-trimethyl-1-pentan-3-ylcyclohexan-1-ol
CID 81313623
2-methylcyclopropane-1,1-diol
CID 68932442
fluoromethane;1,3,3,5-tetramethylcyclohexan-1-ol
CID 142032504
tert-butyl 2-(1-hydroxy-2,4,4-trimethylcyclohexyl)propanoate
CID 81313510
2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 12648920
(1R,2R,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 131849352
(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 10261332
2-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 83815193
(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol
CID 67160199

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol?
The IUPAC name of (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol (CID 10583336) is (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol.
What is the SMILES notation for (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol?
The canonical SMILES for (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol is CC(C)[C@@]1(O)C[C@](C)(O)C[C@H]1C.
What is the InChIKey of (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol?
The InChIKey is YDZIIXDHWDAYQK-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)10(12)6-9(4,11)5-8(10)3/h7-8,11-12H,5-6H2,1-4H3/t8-,9-,10+/m1/s1.
What are the key properties of (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol?
(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol is sourced from PubChem (CID 10583336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).