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

C13H26 — CID 172806960

IUPACbut-1-ene;4-methylpent-1-ene;prop-1-ene
SMILESC=CC.C=CCC.C=CCC(C)C
InChIInChI=1S/C6H12.C4H8.C3H6/c1-4-5-6(2)3;1-3-4-2;1-3-2/h4,6H,1,5H2,2-3H3;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyRQJISGWBFBROIP-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.99
Rot. Bonds3

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

but-1-ene;4-methylpent-1-ene;prop-1-ene (PubChem CID 172806960) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is but-1-ene;4-methylpent-1-ene;prop-1-ene.

Molecular Properties

Compound Namebut-1-ene;4-methylpent-1-ene;prop-1-ene
PubChem CID172806960
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Namebut-1-ene;4-methylpent-1-ene;prop-1-ene
SMILESC=CC.C=CCC.C=CCC(C)C
InChIInChI=1S/C6H12.C4H8.C3H6/c1-4-5-6(2)3;1-3-4-2;1-3-2/h4,6H,1,5H2,2-3H3;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyRQJISGWBFBROIP-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze but-1-ene;4-methylpent-1-ene;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

but-1-ene;4-methylpent-1-ene
CID 23001909
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
buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene
CID 174863450
butane;bis(but-1-ene)
CID 160596310
but-1-ene;methanethiol
CID 174505705

Frequently Asked Questions

What is the IUPAC name of but-1-ene;4-methylpent-1-ene;prop-1-ene?
The IUPAC name of but-1-ene;4-methylpent-1-ene;prop-1-ene (CID 172806960) is but-1-ene;4-methylpent-1-ene;prop-1-ene.
What is the SMILES notation for but-1-ene;4-methylpent-1-ene;prop-1-ene?
The canonical SMILES for but-1-ene;4-methylpent-1-ene;prop-1-ene is C=CC.C=CCC.C=CCC(C)C.
What is the InChIKey of but-1-ene;4-methylpent-1-ene;prop-1-ene?
The InChIKey is RQJISGWBFBROIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8.C3H6/c1-4-5-6(2)3;1-3-4-2;1-3-2/h4,6H,1,5H2,2-3H3;3H,1,4H2,2H3;3H,1H2,2H3.
What are the key properties of but-1-ene;4-methylpent-1-ene;prop-1-ene?
but-1-ene;4-methylpent-1-ene;prop-1-ene has a molecular weight of 182.35 g/mol, XLogP of 4.99, 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;prop-1-ene is sourced from PubChem (CID 172806960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).