2-methylpentane;prop-1-ene

C9H20 — CID 158882307

IUPAC2-methylpentane;prop-1-ene
SMILESC=CC.CCCC(C)C
InChIInChI=1S/C6H14.C3H6/c1-4-5-6(2)3;1-3-2/h6H,4-5H2,1-3H3;3H,1H2,2H3
InChIKeyJDEGMGUXPAGTFU-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.63
Rot. Bonds2

About 2-methylpentane;prop-1-ene

2-methylpentane;prop-1-ene (PubChem CID 158882307) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is 2-methylpentane;prop-1-ene.

Molecular Properties

Compound Name2-methylpentane;prop-1-ene
PubChem CID158882307
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name2-methylpentane;prop-1-ene
SMILESC=CC.CCCC(C)C
InChIInChI=1S/C6H14.C3H6/c1-4-5-6(2)3;1-3-2/h6H,4-5H2,1-3H3;3H,1H2,2H3
InChIKeyJDEGMGUXPAGTFU-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.63
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-methylpentane;prop-1-ene?
The IUPAC name of 2-methylpentane;prop-1-ene (CID 158882307) is 2-methylpentane;prop-1-ene.
What is the SMILES notation for 2-methylpentane;prop-1-ene?
The canonical SMILES for 2-methylpentane;prop-1-ene is C=CC.CCCC(C)C.
What is the InChIKey of 2-methylpentane;prop-1-ene?
The InChIKey is JDEGMGUXPAGTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H6/c1-4-5-6(2)3;1-3-2/h6H,4-5H2,1-3H3;3H,1H2,2H3.
What are the key properties of 2-methylpentane;prop-1-ene?
2-methylpentane;prop-1-ene has a molecular weight of 128.26 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane;prop-1-ene is sourced from PubChem (CID 158882307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).