1,2-dimethylcyclopropane;2-methylpropane;propane

C12H28 — CID 142614988

IUPAC1,2-dimethylcyclopropane;2-methylpropane;propane
SMILESCC(C)C.CC1CC1C.CCC
InChIInChI=1S/C5H10.C4H10.C3H8/c1-4-3-5(4)2;1-4(2)3;1-3-2/h4-5H,3H2,1-2H3;4H,1-3H3;3H2,1-2H3
InChIKeyPUWBJYIHBOSRIA-UHFFFAOYSA-N
MW172.36 g/mol
LogP4.74
Rot. Bonds

About 1,2-dimethylcyclopropane;2-methylpropane;propane

1,2-dimethylcyclopropane;2-methylpropane;propane (PubChem CID 142614988) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is 1,2-dimethylcyclopropane;2-methylpropane;propane.

Molecular Properties

Compound Name1,2-dimethylcyclopropane;2-methylpropane;propane
PubChem CID142614988
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Name1,2-dimethylcyclopropane;2-methylpropane;propane
SMILESCC(C)C.CC1CC1C.CCC
InChIInChI=1S/C5H10.C4H10.C3H8/c1-4-3-5(4)2;1-4(2)3;1-3-2/h4-5H,3H2,1-2H3;4H,1-3H3;3H2,1-2H3
InChIKeyPUWBJYIHBOSRIA-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dimethylcyclopropane;2-methylpropane;propane 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-dimethylcyclopropane;propane
CID 143337919
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
ethane;2-methylpropane;propane
CID 144940074
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
CID 160734051
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
(2S)-4-ethyl-1,2-dimethylcyclopentane
CID 149056409
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
butane;cyclopentane;cyclopropane;2-methylpropane;propane
CID 173325576

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclopropane;2-methylpropane;propane?
The IUPAC name of 1,2-dimethylcyclopropane;2-methylpropane;propane (CID 142614988) is 1,2-dimethylcyclopropane;2-methylpropane;propane.
What is the SMILES notation for 1,2-dimethylcyclopropane;2-methylpropane;propane?
The canonical SMILES for 1,2-dimethylcyclopropane;2-methylpropane;propane is CC(C)C.CC1CC1C.CCC.
What is the InChIKey of 1,2-dimethylcyclopropane;2-methylpropane;propane?
The InChIKey is PUWBJYIHBOSRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H10.C3H8/c1-4-3-5(4)2;1-4(2)3;1-3-2/h4-5H,3H2,1-2H3;4H,1-3H3;3H2,1-2H3.
What are the key properties of 1,2-dimethylcyclopropane;2-methylpropane;propane?
1,2-dimethylcyclopropane;2-methylpropane;propane has a molecular weight of 172.36 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclopropane;2-methylpropane;propane is sourced from PubChem (CID 142614988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).