2,4-dimethylpentane;propane;prop-1-ene

C13H30 — CID 157480541

IUPAC2,4-dimethylpentane;propane;prop-1-ene
SMILESC=CC.CC(C)CC(C)C.CCC
InChIInChI=1S/C7H16.C3H8.C3H6/c1-6(2)5-7(3)4;2*1-3-2/h6-7H,5H2,1-4H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyBWCLODBPDDGDDQ-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.30
Rot. Bonds2

About 2,4-dimethylpentane;propane;prop-1-ene

2,4-dimethylpentane;propane;prop-1-ene (PubChem CID 157480541) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is 2,4-dimethylpentane;propane;prop-1-ene.

Molecular Properties

Compound Name2,4-dimethylpentane;propane;prop-1-ene
PubChem CID157480541
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name2,4-dimethylpentane;propane;prop-1-ene
SMILESC=CC.CC(C)CC(C)C.CCC
InChIInChI=1S/C7H16.C3H8.C3H6/c1-6(2)5-7(3)4;2*1-3-2/h6-7H,5H2,1-4H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyBWCLODBPDDGDDQ-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;propane;prop-1-ene?
The IUPAC name of 2,4-dimethylpentane;propane;prop-1-ene (CID 157480541) is 2,4-dimethylpentane;propane;prop-1-ene.
What is the SMILES notation for 2,4-dimethylpentane;propane;prop-1-ene?
The canonical SMILES for 2,4-dimethylpentane;propane;prop-1-ene is C=CC.CC(C)CC(C)C.CCC.
What is the InChIKey of 2,4-dimethylpentane;propane;prop-1-ene?
The InChIKey is BWCLODBPDDGDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C3H8.C3H6/c1-6(2)5-7(3)4;2*1-3-2/h6-7H,5H2,1-4H3;3H2,1-2H3;3H,1H2,2H3.
What are the key properties of 2,4-dimethylpentane;propane;prop-1-ene?
2,4-dimethylpentane;propane;prop-1-ene has a molecular weight of 186.38 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;propane;prop-1-ene is sourced from PubChem (CID 157480541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).