2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol

C10H20O3 — CID 72969601

IUPAC2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol
SMILESCC(O)(CO)C1CC(CO)C1(C)C
InChIInChI=1S/C10H20O3/c1-9(2)7(5-11)4-8(9)10(3,13)6-12/h7-8,11-13H,4-6H2,1-3H3
InChIKeyKYWLJKGORZCSEF-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.38
Rot. Bonds3

About 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol

2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol (PubChem CID 72969601) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol
PubChem CID72969601
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol
SMILESCC(O)(CO)C1CC(CO)C1(C)C
InChIInChI=1S/C10H20O3/c1-9(2)7(5-11)4-8(9)10(3,13)6-12/h7-8,11-13H,4-6H2,1-3H3
InChIKeyKYWLJKGORZCSEF-UHFFFAOYSA-N
XLogP0.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-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

2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane
CID 90808288
2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol
CID 10725629
(2,2-dimethyl-3-propan-2-ylcyclobutyl)methanol
CID 175095277
[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
CID 89425175
cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 45084905
(2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propane-1,2-diol
CID 130742186
(1S,2S,4S)-4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
CID 100915935
(1S,2S,4S)-4-[(2R)-1,2-dihydroxypropan-2-yl]-1-methylcyclohexane-1,2-diol
CID 101151712
(1R,2R,4S)-4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
CID 10774556
(2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol
CID 162960819
2-(2-hydroxy-2-methylpropyl)-1-methylcyclopropan-1-ol
CID 15327064
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol?
The IUPAC name of 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol (CID 72969601) is 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol.
What is the SMILES notation for 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol?
The canonical SMILES for 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol is CC(O)(CO)C1CC(CO)C1(C)C.
What is the InChIKey of 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol?
The InChIKey is KYWLJKGORZCSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2)7(5-11)4-8(9)10(3,13)6-12/h7-8,11-13H,4-6H2,1-3H3.
What are the key properties of 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol?
2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol has a molecular weight of 188.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-2,2-dimethylcyclobutyl]propane-1,2-diol is sourced from PubChem (CID 72969601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).