1,2-dimethyl-3-pentylcyclopropane;ethane

C12H26 — CID 143707793

IUPAC1,2-dimethyl-3-pentylcyclopropane;ethane
SMILESCC.CCCCCC1C(C)C1C
InChIInChI=1S/C10H20.C2H6/c1-4-5-6-7-10-8(2)9(10)3;1-2/h8-10H,4-7H2,1-3H3;1-2H3
InChIKeyJESQZYPHRFTUEJ-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.49
Rot. Bonds4

About 1,2-dimethyl-3-pentylcyclopropane;ethane

1,2-dimethyl-3-pentylcyclopropane;ethane (PubChem CID 143707793) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 1,2-dimethyl-3-pentylcyclopropane;ethane.

Molecular Properties

Compound Name1,2-dimethyl-3-pentylcyclopropane;ethane
PubChem CID143707793
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name1,2-dimethyl-3-pentylcyclopropane;ethane
SMILESCC.CCCCCC1C(C)C1C
InChIInChI=1S/C10H20.C2H6/c1-4-5-6-7-10-8(2)9(10)3;1-2/h8-10H,4-7H2,1-3H3;1-2H3
InChIKeyJESQZYPHRFTUEJ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-3-pentylcyclopropane;ethane 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

1,2-dimethyl-3-pentylcyclopropane
CID 524654
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
3,4,6-trimethyl-5-pentyloxan-2-ol
CID 59637157
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
CID 123185482
(4S)-2-methyl-3-pentyl-5-oxabicyclo[2.1.1]hexane
CID 147411866
1-methyl-2-pentan-2-yl-3-pentylcyclopropane
CID 91342380
2-butyl-3,4-dimethylbicyclo[3.1.0]hexane
CID 123902108
2-decylbicyclo[1.1.0]butane
CID 123632675

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-pentylcyclopropane;ethane?
The IUPAC name of 1,2-dimethyl-3-pentylcyclopropane;ethane (CID 143707793) is 1,2-dimethyl-3-pentylcyclopropane;ethane.
What is the SMILES notation for 1,2-dimethyl-3-pentylcyclopropane;ethane?
The canonical SMILES for 1,2-dimethyl-3-pentylcyclopropane;ethane is CC.CCCCCC1C(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-pentylcyclopropane;ethane?
The InChIKey is JESQZYPHRFTUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C2H6/c1-4-5-6-7-10-8(2)9(10)3;1-2/h8-10H,4-7H2,1-3H3;1-2H3.
What are the key properties of 1,2-dimethyl-3-pentylcyclopropane;ethane?
1,2-dimethyl-3-pentylcyclopropane;ethane has a molecular weight of 170.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-pentylcyclopropane;ethane is sourced from PubChem (CID 143707793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).