3-butyl-2-tert-butylcyclopropane-1,1-diol

C11H22O2 — CID 141086878

IUPAC3-butyl-2-tert-butylcyclopropane-1,1-diol
SMILESCCCCC1C(C(C)(C)C)C1(O)O
InChIInChI=1S/C11H22O2/c1-5-6-7-8-9(10(2,3)4)11(8,12)13/h8-9,12-13H,5-7H2,1-4H3
InChIKeyIAJIVWMGDQZFSG-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.15
Rot. Bonds3

About 3-butyl-2-tert-butylcyclopropane-1,1-diol

3-butyl-2-tert-butylcyclopropane-1,1-diol (PubChem CID 141086878) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-butyl-2-tert-butylcyclopropane-1,1-diol.

Molecular Properties

Compound Name3-butyl-2-tert-butylcyclopropane-1,1-diol
PubChem CID141086878
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-butyl-2-tert-butylcyclopropane-1,1-diol
SMILESCCCCC1C(C(C)(C)C)C1(O)O
InChIInChI=1S/C11H22O2/c1-5-6-7-8-9(10(2,3)4)11(8,12)13/h8-9,12-13H,5-7H2,1-4H3
InChIKeyIAJIVWMGDQZFSG-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.15
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 3-butyl-2-tert-butylcyclopropane-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

Related Compounds

Poly[oxy(methyl-1,2-ethanediyl)], alpha,alpha'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl]bis[omega-hydroxy-
CID 91997036
(1R,3R,7S,10S)-3,7,11,11-tetramethylbicyclo[8.1.0]undecan-3-ol
CID 163071950
Tetramethylnonanol
CID 22717396
2,3,3-Trimethyloctan-2-ol
CID 121216443
trans-(1R,2R)-2-butyl-1-methylcyclopropan-1-ol
CID 10855472
2-Hexyl-1-methylcyclopropan-1-ol
CID 11194459
2-Cyclopropylheptan-2-ol
CID 13600633
1-Heptyl-2-methylcyclopropan-1-ol
CID 14453687
Tetramethyl hexadecanetriol
CID 54385997
(trans)-2-(2-Hexylcyclopropyl)propan-2-ol
CID 67160832
2,2,3-Trimethylnonan-3-ol
CID 12573334
1-Cyclopropyl-3-ethyl-1-fluoro-4,4-dimethylpentan-1-ol
CID 117656800

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-tert-butylcyclopropane-1,1-diol?
The IUPAC name of 3-butyl-2-tert-butylcyclopropane-1,1-diol (CID 141086878) is 3-butyl-2-tert-butylcyclopropane-1,1-diol.
What is the SMILES notation for 3-butyl-2-tert-butylcyclopropane-1,1-diol?
The canonical SMILES for 3-butyl-2-tert-butylcyclopropane-1,1-diol is CCCCC1C(C(C)(C)C)C1(O)O.
What is the InChIKey of 3-butyl-2-tert-butylcyclopropane-1,1-diol?
The InChIKey is IAJIVWMGDQZFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-6-7-8-9(10(2,3)4)11(8,12)13/h8-9,12-13H,5-7H2,1-4H3.
What are the key properties of 3-butyl-2-tert-butylcyclopropane-1,1-diol?
3-butyl-2-tert-butylcyclopropane-1,1-diol has a molecular weight of 186.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-tert-butylcyclopropane-1,1-diol is sourced from PubChem (CID 141086878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).