1-hexan-2-yl-2-methylcyclopropane

C10H20 — CID 524613

IUPAC1-hexan-2-yl-2-methylcyclopropane
SMILESCCCCC(C)C1CC1C
InChIInChI=1S/C10H20/c1-4-5-6-8(2)10-7-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeySDMZKJVNSBAQOG-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.47
Rot. Bonds4

About 1-hexan-2-yl-2-methylcyclopropane

1-hexan-2-yl-2-methylcyclopropane (PubChem CID 524613) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1-hexan-2-yl-2-methylcyclopropane.

Molecular Properties

Compound Name1-hexan-2-yl-2-methylcyclopropane
PubChem CID524613
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1-hexan-2-yl-2-methylcyclopropane
SMILESCCCCC(C)C1CC1C
InChIInChI=1S/C10H20/c1-4-5-6-8(2)10-7-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeySDMZKJVNSBAQOG-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-hexan-2-yl-2-methylcyclopropane 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 1-hexan-2-yl-2-methylcyclopropane?
The IUPAC name of 1-hexan-2-yl-2-methylcyclopropane (CID 524613) is 1-hexan-2-yl-2-methylcyclopropane.
What is the SMILES notation for 1-hexan-2-yl-2-methylcyclopropane?
The canonical SMILES for 1-hexan-2-yl-2-methylcyclopropane is CCCCC(C)C1CC1C.
What is the InChIKey of 1-hexan-2-yl-2-methylcyclopropane?
The InChIKey is SDMZKJVNSBAQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-4-5-6-8(2)10-7-9(10)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-hexan-2-yl-2-methylcyclopropane?
1-hexan-2-yl-2-methylcyclopropane has a molecular weight of 140.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-2-methylcyclopropane is sourced from PubChem (CID 524613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).