bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene

C30H59Cl — CID 158851979

IUPACbis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene
SMILESC=C.C=C(C)C.C=C(C)CC.C=C(C)CCC.C=CC.C=CCC.C=CCC.C=CCl
InChIInChI=1S/C6H12.C5H10.3C4H8.C3H6.C2H3Cl.C2H4/c1-4-5-6(2)3;1-4-5(2)3;1-4(2)3;2*1-3-4-2;1-3-2;1-2-3;1-2/h2,4-5H2,1,3H3;2,4H2,1,3H3;1H2,2-3H3;2*3H,1,4H2,2H3;3H,1H2,2H3;2H,1H2;1-2H2
InChIKeyIZOLZMFQYWBKPW-UHFFFAOYSA-N
MW455.26 g/mol
LogP12.45
Rot. Bonds5

About bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene

bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene (PubChem CID 158851979) has the molecular formula C30H59Cl and a molecular weight of 455.26 g/mol. Its IUPAC name is bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene.

Molecular Properties

Compound Namebis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene
PubChem CID158851979
Molecular FormulaC30H59Cl
Molecular Weight455.26 g/mol
Exact Mass454.43
IUPAC Namebis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene
SMILESC=C.C=C(C)C.C=C(C)CC.C=C(C)CCC.C=CC.C=CCC.C=CCC.C=CCl
InChIInChI=1S/C6H12.C5H10.3C4H8.C3H6.C2H3Cl.C2H4/c1-4-5-6(2)3;1-4-5(2)3;1-4(2)3;2*1-3-4-2;1-3-2;1-2-3;1-2/h2,4-5H2,1,3H3;2,4H2,1,3H3;1H2,2-3H3;2*3H,1,4H2,2H3;3H,1H2,2H3;2H,1H2;1-2H2
InChIKeyIZOLZMFQYWBKPW-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.26
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene?
The IUPAC name of bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene (CID 158851979) is bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene.
What is the SMILES notation for bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene?
The canonical SMILES for bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene is C=C.C=C(C)C.C=C(C)CC.C=C(C)CCC.C=CC.C=CCC.C=CCC.C=CCl.
What is the InChIKey of bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene?
The InChIKey is IZOLZMFQYWBKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H10.3C4H8.C3H6.C2H3Cl.C2H4/c1-4-5-6(2)3;1-4-5(2)3;1-4(2)3;2*1-3-4-2;1-3-2;1-2-3;1-2/h2,4-5H2,1,3H3;2,4H2,1,3H3;1H2,2-3H3;2*3H,1,4H2,2H3;3H,1H2,2H3;2H,1H2;1-2H2.
What are the key properties of bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene?
bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene has a molecular weight of 455.26 g/mol, XLogP of 12.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-1-ene);chloroethene;ethene;2-methylbut-1-ene;2-methylpent-1-ene;2-methylprop-1-ene;prop-1-ene is sourced from PubChem (CID 158851979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).