2,2,4-trimethylcyclopentane-1,3-diol

C8H16O2 — CID 142602394

IUPAC2,2,4-trimethylcyclopentane-1,3-diol
SMILESCC1CC(O)C(C)(C)C1O
InChIInChI=1S/C8H16O2/c1-5-4-6(9)8(2,3)7(5)10/h5-7,9-10H,4H2,1-3H3
InChIKeyIOXYNKHITPQOCK-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.77
Rot. Bonds

About 2,2,4-trimethylcyclopentane-1,3-diol

2,2,4-trimethylcyclopentane-1,3-diol (PubChem CID 142602394) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,2,4-trimethylcyclopentane-1,3-diol.

Molecular Properties

Compound Name2,2,4-trimethylcyclopentane-1,3-diol
PubChem CID142602394
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,2,4-trimethylcyclopentane-1,3-diol
SMILESCC1CC(O)C(C)(C)C1O
InChIInChI=1S/C8H16O2/c1-5-4-6(9)8(2,3)7(5)10/h5-7,9-10H,4H2,1-3H3
InChIKeyIOXYNKHITPQOCK-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(3S,5S)-4,4,5-trimethylcyclohexane-1,3-diol
CID 118049120
cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
CID 97300410
4,7,7-trimethylbicyclo[4.1.1]octan-3-ol
CID 90911661
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylcyclopropane-1-carboxamide
CID 114630806
(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 102239210
(1S,4R,5S)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 131134241
(1S,4R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 175710534
3-(2,5-dimethylphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416674
2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81416088
2,2-dimethyl-3-(4-methylpiperidin-1-yl)cyclobutan-1-ol
CID 114631752
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylcyclopentane-1,3-diol?
The IUPAC name of 2,2,4-trimethylcyclopentane-1,3-diol (CID 142602394) is 2,2,4-trimethylcyclopentane-1,3-diol.
What is the SMILES notation for 2,2,4-trimethylcyclopentane-1,3-diol?
The canonical SMILES for 2,2,4-trimethylcyclopentane-1,3-diol is CC1CC(O)C(C)(C)C1O.
What is the InChIKey of 2,2,4-trimethylcyclopentane-1,3-diol?
The InChIKey is IOXYNKHITPQOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-4-6(9)8(2,3)7(5)10/h5-7,9-10H,4H2,1-3H3.
What are the key properties of 2,2,4-trimethylcyclopentane-1,3-diol?
2,2,4-trimethylcyclopentane-1,3-diol has a molecular weight of 144.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylcyclopentane-1,3-diol is sourced from PubChem (CID 142602394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).