5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol

C12H24O — CID 59005357

IUPAC5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol
SMILESCCC1CC1(C)CCCC(C)(C)O
InChIInChI=1S/C12H24O/c1-5-10-9-12(10,4)8-6-7-11(2,3)13/h10,13H,5-9H2,1-4H3
InChIKeySSQLDRDVXSHMAO-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds5

About 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol

5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol (PubChem CID 59005357) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol
PubChem CID59005357
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol
SMILESCCC1CC1(C)CCCC(C)(C)O
InChIInChI=1S/C12H24O/c1-5-10-9-12(10,4)8-6-7-11(2,3)13/h10,13H,5-9H2,1-4H3
InChIKeySSQLDRDVXSHMAO-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol 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 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol?
The IUPAC name of 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol (CID 59005357) is 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol.
What is the SMILES notation for 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol?
The canonical SMILES for 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol is CCC1CC1(C)CCCC(C)(C)O.
What is the InChIKey of 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol?
The InChIKey is SSQLDRDVXSHMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-10-9-12(10,4)8-6-7-11(2,3)13/h10,13H,5-9H2,1-4H3.
What are the key properties of 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol?
5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol is sourced from PubChem (CID 59005357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).