but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene

C18H36 — CID 174863450

IUPACbut-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene
SMILESC=CC.C=CC(C)(C)C.C=CC(C)C.C=CCC
InChIInChI=1S/C6H12.C5H10.C4H8.C3H6/c1-5-6(2,3)4;1-4-5(2)3;1-3-4-2;1-3-2/h5H,1H2,2-4H3;4-5H,1H2,2-3H3;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyZJCPMUXESMRDAM-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.82
Rot. Bonds2

About but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene

but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene (PubChem CID 174863450) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene.

Molecular Properties

Compound Namebut-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene
PubChem CID174863450
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Namebut-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene
SMILESC=CC.C=CC(C)(C)C.C=CC(C)C.C=CCC
InChIInChI=1S/C6H12.C5H10.C4H8.C3H6/c1-5-6(2,3)4;1-4-5(2)3;1-3-4-2;1-3-2/h5H,1H2,2-4H3;4-5H,1H2,2-3H3;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyZJCPMUXESMRDAM-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.82
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;3,3-dimethylbut-1-ene;3-methylbut-1-ene;pent-1-ene
CID 174805110
but-1-ene;ethene
CID 19017343
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
ethane;ethene;3-methylbut-1-ene
CID 145381296
but-1-ene;2-methylbutane
CID 142013560
but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;dihydrofluoride
CID 175726295
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
3-methylbut-1-ene;hydrobromide
CID 158395600
but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
CID 142056608

Frequently Asked Questions

What is the IUPAC name of but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene?
The IUPAC name of but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene (CID 174863450) is but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene.
What is the SMILES notation for but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene?
The canonical SMILES for but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene is C=CC.C=CC(C)(C)C.C=CC(C)C.C=CCC.
What is the InChIKey of but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene?
The InChIKey is ZJCPMUXESMRDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H10.C4H8.C3H6/c1-5-6(2,3)4;1-4-5(2)3;1-3-4-2;1-3-2/h5H,1H2,2-4H3;4-5H,1H2,2-3H3;3H,1,4H2,2H3;3H,1H2,2H3.
What are the key properties of but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene?
but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene has a molecular weight of 252.49 g/mol, XLogP of 6.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene is sourced from PubChem (CID 174863450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).