ethene;3-methylpent-1-ene

C8H16 — CID 141008257

IUPACethene;3-methylpent-1-ene
SMILESC=C.C=CC(C)CC
InChIInChI=1S/C6H12.C2H4/c1-4-6(3)5-2;1-2/h4,6H,1,5H2,2-3H3;1-2H2
InChIKeyMMCMTBLFXHSWRE-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.02
Rot. Bonds2

About ethene;3-methylpent-1-ene

ethene;3-methylpent-1-ene (PubChem CID 141008257) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is ethene;3-methylpent-1-ene.

Molecular Properties

Compound Nameethene;3-methylpent-1-ene
PubChem CID141008257
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nameethene;3-methylpent-1-ene
SMILESC=C.C=CC(C)CC
InChIInChI=1S/C6H12.C2H4/c1-4-6(3)5-2;1-2/h4,6H,1,5H2,2-3H3;1-2H2
InChIKeyMMCMTBLFXHSWRE-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.02
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 ethene;3-methylpent-1-ene?
The IUPAC name of ethene;3-methylpent-1-ene (CID 141008257) is ethene;3-methylpent-1-ene.
What is the SMILES notation for ethene;3-methylpent-1-ene?
The canonical SMILES for ethene;3-methylpent-1-ene is C=C.C=CC(C)CC.
What is the InChIKey of ethene;3-methylpent-1-ene?
The InChIKey is MMCMTBLFXHSWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H4/c1-4-6(3)5-2;1-2/h4,6H,1,5H2,2-3H3;1-2H2.
What are the key properties of ethene;3-methylpent-1-ene?
ethene;3-methylpent-1-ene has a molecular weight of 112.22 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methylpent-1-ene is sourced from PubChem (CID 141008257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).