[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol

C7H14O4 — CID 54021215

IUPAC[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol
SMILESCC1(C)C(C(O)O)C1C(O)O
InChIInChI=1S/C7H14O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-6,8-11H,1-2H3
InChIKeyKZBBFWAZUYUHGB-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.12
Rot. Bonds2

About [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol

[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol (PubChem CID 54021215) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol.

Molecular Properties

Compound Name[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol
PubChem CID54021215
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol
SMILESCC1(C)C(C(O)O)C1C(O)O
InChIInChI=1S/C7H14O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-6,8-11H,1-2H3
InChIKeyKZBBFWAZUYUHGB-UHFFFAOYSA-N
XLogP-1.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol?
The IUPAC name of [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol (CID 54021215) is [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol.
What is the SMILES notation for [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol?
The canonical SMILES for [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol is CC1(C)C(C(O)O)C1C(O)O.
What is the InChIKey of [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol?
The InChIKey is KZBBFWAZUYUHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(2)3(5(8)9)4(7)6(10)11/h3-6,8-11H,1-2H3.
What are the key properties of [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol?
[3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol has a molecular weight of 162.19 g/mol, XLogP of -1.12, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dihydroxymethyl)-2,2-dimethylcyclopropyl]methanediol is sourced from PubChem (CID 54021215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).