but-1-ene;3-methylhexane

C11H24 — CID 90948469

IUPACbut-1-ene;3-methylhexane
SMILESC=CCC.CCCC(C)CC
InChIInChI=1S/C7H16.C4H8/c1-4-6-7(3)5-2;1-3-4-2/h7H,4-6H2,1-3H3;3H,1,4H2,2H3
InChIKeyGXBSVCWZNHTZKG-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.41
Rot. Bonds4

About but-1-ene;3-methylhexane

but-1-ene;3-methylhexane (PubChem CID 90948469) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is but-1-ene;3-methylhexane.

Molecular Properties

Compound Namebut-1-ene;3-methylhexane
PubChem CID90948469
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Namebut-1-ene;3-methylhexane
SMILESC=CCC.CCCC(C)CC
InChIInChI=1S/C7H16.C4H8/c1-4-6-7(3)5-2;1-3-4-2/h7H,4-6H2,1-3H3;3H,1,4H2,2H3
InChIKeyGXBSVCWZNHTZKG-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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

4,5-Dimethyl-1-hexene
CID 27683
3,4-Dimethyl-1-hexene
CID 140134
6-Methyl-1-heptene
CID 21122
1-Heptene, 5-methyl-
CID 99888
3-Methyl-1-heptene
CID 20946
4-Ethyl-1-hexene
CID 123365
3,7-Dimethyloct-1-ene
CID 21085
3,4,5-Trimethyl-1-hexene
CID 41976
2,4-Dimethyl-1-hexene
CID 519301
8-Methyldec-1-ene
CID 521957
Hexane, 3-methyl-4-methylene-
CID 103004
4,6,8-Trimethyl-1-nonene
CID 41077

Frequently Asked Questions

What is the IUPAC name of but-1-ene;3-methylhexane?
The IUPAC name of but-1-ene;3-methylhexane (CID 90948469) is but-1-ene;3-methylhexane.
What is the SMILES notation for but-1-ene;3-methylhexane?
The canonical SMILES for but-1-ene;3-methylhexane is C=CCC.CCCC(C)CC.
What is the InChIKey of but-1-ene;3-methylhexane?
The InChIKey is GXBSVCWZNHTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C4H8/c1-4-6-7(3)5-2;1-3-4-2/h7H,4-6H2,1-3H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;3-methylhexane?
but-1-ene;3-methylhexane has a molecular weight of 156.31 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3-methylhexane is sourced from PubChem (CID 90948469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).