2,3-di(propan-2-yl)cyclopropane-1,1-diol

C9H18O2 — CID 59027067

IUPAC2,3-di(propan-2-yl)cyclopropane-1,1-diol
SMILESCC(C)C1C(C(C)C)C1(O)O
InChIInChI=1S/C9H18O2/c1-5(2)7-8(6(3)4)9(7,10)11/h5-8,10-11H,1-4H3
InChIKeyCADNBYUGNUJXKG-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.23
Rot. Bonds2

About 2,3-di(propan-2-yl)cyclopropane-1,1-diol

2,3-di(propan-2-yl)cyclopropane-1,1-diol (PubChem CID 59027067) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)cyclopropane-1,1-diol.

Molecular Properties

Compound Name2,3-di(propan-2-yl)cyclopropane-1,1-diol
PubChem CID59027067
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2,3-di(propan-2-yl)cyclopropane-1,1-diol
SMILESCC(C)C1C(C(C)C)C1(O)O
InChIInChI=1S/C9H18O2/c1-5(2)7-8(6(3)4)9(7,10)11/h5-8,10-11H,1-4H3
InChIKeyCADNBYUGNUJXKG-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-di(propan-2-yl)cyclopropane-1,1-diol 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 2,3-di(propan-2-yl)cyclopropane-1,1-diol?
The IUPAC name of 2,3-di(propan-2-yl)cyclopropane-1,1-diol (CID 59027067) is 2,3-di(propan-2-yl)cyclopropane-1,1-diol.
What is the SMILES notation for 2,3-di(propan-2-yl)cyclopropane-1,1-diol?
The canonical SMILES for 2,3-di(propan-2-yl)cyclopropane-1,1-diol is CC(C)C1C(C(C)C)C1(O)O.
What is the InChIKey of 2,3-di(propan-2-yl)cyclopropane-1,1-diol?
The InChIKey is CADNBYUGNUJXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5(2)7-8(6(3)4)9(7,10)11/h5-8,10-11H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)cyclopropane-1,1-diol?
2,3-di(propan-2-yl)cyclopropane-1,1-diol has a molecular weight of 158.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)cyclopropane-1,1-diol is sourced from PubChem (CID 59027067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).