ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene

C16H32 — CID 160601103

IUPACethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
SMILESC=C.C=C.C=C(C)C.C=C(C)CC(C)(C)C
InChIInChI=1S/C8H16.C4H8.2C2H4/c1-7(2)6-8(3,4)5;1-4(2)3;2*1-2/h1,6H2,2-5H3;1H2,2-3H3;2*1-2H2
InChIKeyREHBWHQGIZQXTN-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.19
Rot. Bonds1

About ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene

ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene (PubChem CID 160601103) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Nameethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
PubChem CID160601103
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Nameethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
SMILESC=C.C=C.C=C(C)C.C=C(C)CC(C)(C)C
InChIInChI=1S/C8H16.C4H8.2C2H4/c1-7(2)6-8(3,4)5;1-4(2)3;2*1-2/h1,6H2,2-5H3;1H2,2-3H3;2*1-2H2
InChIKeyREHBWHQGIZQXTN-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.19
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

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CID 22159646
3,5-dimethylhex-5-en-3-ol
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3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
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Frequently Asked Questions

What is the IUPAC name of ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene?
The IUPAC name of ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene (CID 160601103) is ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene.
What is the SMILES notation for ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene?
The canonical SMILES for ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene is C=C.C=C.C=C(C)C.C=C(C)CC(C)(C)C.
What is the InChIKey of ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene?
The InChIKey is REHBWHQGIZQXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C4H8.2C2H4/c1-7(2)6-8(3,4)5;1-4(2)3;2*1-2/h1,6H2,2-5H3;1H2,2-3H3;2*1-2H2.
What are the key properties of ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene?
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene has a molecular weight of 224.43 g/mol, XLogP of 6.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 160601103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).