1-(3,4-dimethylpentyl)-2-ethylcyclopropane

C12H24 — CID 123908789

IUPAC1-(3,4-dimethylpentyl)-2-ethylcyclopropane
SMILESCCC1CC1CCC(C)C(C)C
InChIInChI=1S/C12H24/c1-5-11-8-12(11)7-6-10(4)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyDCPCOXVNBHSVPS-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds5

About 1-(3,4-dimethylpentyl)-2-ethylcyclopropane

1-(3,4-dimethylpentyl)-2-ethylcyclopropane (PubChem CID 123908789) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(3,4-dimethylpentyl)-2-ethylcyclopropane.

Molecular Properties

Compound Name1-(3,4-dimethylpentyl)-2-ethylcyclopropane
PubChem CID123908789
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(3,4-dimethylpentyl)-2-ethylcyclopropane
SMILESCCC1CC1CCC(C)C(C)C
InChIInChI=1S/C12H24/c1-5-11-8-12(11)7-6-10(4)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyDCPCOXVNBHSVPS-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3,4-dimethylpentyl)-2-ethylcyclopropane 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

1-(3,4-dimethylheptyl)-2-ethylcyclopropane
CID 123989323
1-(3-cyclopropylbutyl)-2-ethylcyclopropane
CID 123702350
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
1-ethyl-2-[2-(2-methylcyclopropyl)ethyl]cyclopropane
CID 123992340
1-(3-ethyl-4,5-dimethylheptyl)-2-propylcyclopropane
CID 123532559
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 173447814
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244
1-methyl-2-(3,4,5-trimethylhexyl)cyclobutane
CID 123422470
1-butyl-2-ethylcyclopropane;2-methylbutane;propane
CID 143683372
1-(2,3-dimethylheptyl)-2-ethylcyclopropane
CID 123157589

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentyl)-2-ethylcyclopropane?
The IUPAC name of 1-(3,4-dimethylpentyl)-2-ethylcyclopropane (CID 123908789) is 1-(3,4-dimethylpentyl)-2-ethylcyclopropane.
What is the SMILES notation for 1-(3,4-dimethylpentyl)-2-ethylcyclopropane?
The canonical SMILES for 1-(3,4-dimethylpentyl)-2-ethylcyclopropane is CCC1CC1CCC(C)C(C)C.
What is the InChIKey of 1-(3,4-dimethylpentyl)-2-ethylcyclopropane?
The InChIKey is DCPCOXVNBHSVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-11-8-12(11)7-6-10(4)9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpentyl)-2-ethylcyclopropane?
1-(3,4-dimethylpentyl)-2-ethylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentyl)-2-ethylcyclopropane is sourced from PubChem (CID 123908789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).