3-methylhexane;2-methylprop-1-ene

C11H24 — CID 165405684

IUPAC3-methylhexane;2-methylprop-1-ene
SMILESC=C(C)C.CCCC(C)CC
InChIInChI=1S/C7H16.C4H8/c1-4-6-7(3)5-2;1-4(2)3/h7H,4-6H2,1-3H3;1H2,2-3H3
InChIKeyKRQDRFQZYPLPLJ-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.41
Rot. Bonds3

About 3-methylhexane;2-methylprop-1-ene

3-methylhexane;2-methylprop-1-ene (PubChem CID 165405684) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 3-methylhexane;2-methylprop-1-ene.

Molecular Properties

Compound Name3-methylhexane;2-methylprop-1-ene
PubChem CID165405684
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name3-methylhexane;2-methylprop-1-ene
SMILESC=C(C)C.CCCC(C)CC
InChIInChI=1S/C7H16.C4H8/c1-4-6-7(3)5-2;1-4(2)3/h7H,4-6H2,1-3H3;1H2,2-3H3
InChIKeyKRQDRFQZYPLPLJ-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methylhexane;N-methylprop-1-en-2-amine
CID 143357594
(3R,6R)-3,6-dimethylnonane
CID 170848352
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
4-ethyl-2,6-dimethylnon-1-ene
CID 90949298
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
3-methylhexane;3-methylpentane;pentane
CID 158601477
2,7-dimethylnon-1-ene
CID 123682074
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
5-ethylidene-3,7-dimethyldecane
CID 91539867
3,3-diethylpentane;3-methylhexane;3-methylpentane
CID 160955988
2-methylhexane;3-methylhexane
CID 123646192

Frequently Asked Questions

What is the IUPAC name of 3-methylhexane;2-methylprop-1-ene?
The IUPAC name of 3-methylhexane;2-methylprop-1-ene (CID 165405684) is 3-methylhexane;2-methylprop-1-ene.
What is the SMILES notation for 3-methylhexane;2-methylprop-1-ene?
The canonical SMILES for 3-methylhexane;2-methylprop-1-ene is C=C(C)C.CCCC(C)CC.
What is the InChIKey of 3-methylhexane;2-methylprop-1-ene?
The InChIKey is KRQDRFQZYPLPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C4H8/c1-4-6-7(3)5-2;1-4(2)3/h7H,4-6H2,1-3H3;1H2,2-3H3.
What are the key properties of 3-methylhexane;2-methylprop-1-ene?
3-methylhexane;2-methylprop-1-ene has a molecular weight of 156.31 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexane;2-methylprop-1-ene is sourced from PubChem (CID 165405684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).