but-1-ene;4-methylpent-1-ene

C10H20 — CID 23001909

IUPACbut-1-ene;4-methylpent-1-ene
SMILESC=CCC.C=CCC(C)C
InChIInChI=1S/C6H12.C4H8/c1-4-5-6(2)3;1-3-4-2/h4,6H,1,5H2,2-3H3;3H,1,4H2,2H3
InChIKeyBDGJRWFEEJVDBX-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.80
Rot. Bonds3

About but-1-ene;4-methylpent-1-ene

but-1-ene;4-methylpent-1-ene (PubChem CID 23001909) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is but-1-ene;4-methylpent-1-ene.

Molecular Properties

Compound Namebut-1-ene;4-methylpent-1-ene
PubChem CID23001909
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Namebut-1-ene;4-methylpent-1-ene
SMILESC=CCC.C=CCC(C)C
InChIInChI=1S/C6H12.C4H8/c1-4-5-6(2)3;1-3-4-2/h4,6H,1,5H2,2-3H3;3H,1,4H2,2H3
InChIKeyBDGJRWFEEJVDBX-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.80
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

but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
ethanol;4-methylpent-1-ene
CID 141289447
butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
CID 158518430
but-1-ene;2-methylbutane
CID 142013560
4-methylpent-1-ene;propylidenecyclopropane
CID 173050388
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
butane;bis(but-1-ene)
CID 160596310
but-1-ene;methanethiol
CID 174505705
4-propan-2-ylhepta-1,6-diene
CID 14140894
4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936

Frequently Asked Questions

What is the IUPAC name of but-1-ene;4-methylpent-1-ene?
The IUPAC name of but-1-ene;4-methylpent-1-ene (CID 23001909) is but-1-ene;4-methylpent-1-ene.
What is the SMILES notation for but-1-ene;4-methylpent-1-ene?
The canonical SMILES for but-1-ene;4-methylpent-1-ene is C=CCC.C=CCC(C)C.
What is the InChIKey of but-1-ene;4-methylpent-1-ene?
The InChIKey is BDGJRWFEEJVDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8/c1-4-5-6(2)3;1-3-4-2/h4,6H,1,5H2,2-3H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;4-methylpent-1-ene?
but-1-ene;4-methylpent-1-ene has a molecular weight of 140.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;4-methylpent-1-ene is sourced from PubChem (CID 23001909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).