3-methylpentane;propane

C9H22 — CID 123266773

IUPAC3-methylpentane;propane
SMILESCCC.CCC(C)CC
InChIInChI=1S/C6H14.C3H8/c1-4-6(3)5-2;1-3-2/h6H,4-5H2,1-3H3;3H2,1-2H3
InChIKeyDEKYTJFUGJPQKW-UHFFFAOYSA-N
MW130.27 g/mol
LogP3.86
Rot. Bonds2

About 3-methylpentane;propane

3-methylpentane;propane (PubChem CID 123266773) has the molecular formula C9H22 and a molecular weight of 130.27 g/mol. Its IUPAC name is 3-methylpentane;propane.

Molecular Properties

Compound Name3-methylpentane;propane
PubChem CID123266773
Molecular FormulaC9H22
Molecular Weight130.27 g/mol
Exact Mass130.17
IUPAC Name3-methylpentane;propane
SMILESCCC.CCC(C)CC
InChIInChI=1S/C6H14.C3H8/c1-4-6(3)5-2;1-3-2/h6H,4-5H2,1-3H3;3H2,1-2H3
InChIKeyDEKYTJFUGJPQKW-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
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ethane;3-methylpentane
CID 91147782
acetylene;ethane;3-methylpentane;propane
CID 143705259
ethane;ethene;methane;3-methylpentane;propane
CID 144518187
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
carbonic acid;3-methylpentane
CID 173481374
2,4-dimethylhexane;propane
CID 143348383
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
methane;3-methylpentane;tritioethyne
CID 159244363
2,5-dimethylheptane;propane
CID 145235091

Frequently Asked Questions

What is the IUPAC name of 3-methylpentane;propane?
The IUPAC name of 3-methylpentane;propane (CID 123266773) is 3-methylpentane;propane.
What is the SMILES notation for 3-methylpentane;propane?
The canonical SMILES for 3-methylpentane;propane is CCC.CCC(C)CC.
What is the InChIKey of 3-methylpentane;propane?
The InChIKey is DEKYTJFUGJPQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H8/c1-4-6(3)5-2;1-3-2/h6H,4-5H2,1-3H3;3H2,1-2H3.
What are the key properties of 3-methylpentane;propane?
3-methylpentane;propane has a molecular weight of 130.27 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentane;propane is sourced from PubChem (CID 123266773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).