1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol

C12H22O — CID 90693729

IUPAC1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol
SMILESC=C1C(CC(C)C(C)C)C1C(C)O
InChIInChI=1S/C12H22O/c1-7(2)8(3)6-11-9(4)12(11)10(5)13/h7-8,10-13H,4,6H2,1-3,5H3
InChIKeyISICKAQSAYJFAZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.85
Rot. Bonds4

About 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol

1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol (PubChem CID 90693729) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol.

Molecular Properties

Compound Name1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol
PubChem CID90693729
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol
SMILESC=C1C(CC(C)C(C)C)C1C(C)O
InChIInChI=1S/C12H22O/c1-7(2)8(3)6-11-9(4)12(11)10(5)13/h7-8,10-13H,4,6H2,1-3,5H3
InChIKeyISICKAQSAYJFAZ-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol 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

3-(2,3-dimethylbutyl)-4-propan-2-yloxolane-2,5-dione
CID 147611414
(4S,5S)-4-[(1R)-1-hydroxyethyl]-3-methylidene-5-propan-2-yloxolan-2-one
CID 23255642
[(2R)-2,3-dimethylbutyl]cyclopropane
CID 58368146
(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-prop-2-enylazetidin-2-one
CID 13132525
4,5-dimethylhex-1-en-2-amine
CID 129255783
(2R,4S)-4,5-dimethylhexan-2-ol
CID 124507307
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
(2S,4R)-4,5-dimethylhexan-2-ol
CID 124507308
2,6,7-trimethylocta-1,3-diene
CID 123885530
1-(2,3-dimethylbutyl)-3-ethylcyclopentane
CID 123993465
2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
CID 143365587
1-(2,3-dimethylbutyl)-2-methyl-3-prop-2-enylcyclopropene
CID 123211117

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol?
The IUPAC name of 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol (CID 90693729) is 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol.
What is the SMILES notation for 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol?
The canonical SMILES for 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol is C=C1C(CC(C)C(C)C)C1C(C)O.
What is the InChIKey of 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol?
The InChIKey is ISICKAQSAYJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-7(2)8(3)6-11-9(4)12(11)10(5)13/h7-8,10-13H,4,6H2,1-3,5H3.
What are the key properties of 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol?
1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol has a molecular weight of 182.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylbutyl)-3-methylidenecyclopropyl]ethanol is sourced from PubChem (CID 90693729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).