ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene

C17H34 — CID 143193150

IUPACethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene
SMILESC=C.C=C(C)C.C=CC(C)(C)CCC(C)(C)C
InChIInChI=1S/C11H22.C4H8.C2H4/c1-7-11(5,6)9-8-10(2,3)4;1-4(2)3;1-2/h7H,1,8-9H2,2-6H3;1H2,2-3H3;1-2H2
InChIKeyBNTMVHKLYKSYRG-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.41
Rot. Bonds3

About ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene

ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene (PubChem CID 143193150) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene.

Molecular Properties

Compound Nameethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene
PubChem CID143193150
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene
SMILESC=C.C=C(C)C.C=CC(C)(C)CCC(C)(C)C
InChIInChI=1S/C11H22.C4H8.C2H4/c1-7-11(5,6)9-8-10(2,3)4;1-4(2)3;1-2/h7H,1,8-9H2,2-6H3;1H2,2-3H3;1-2H2
InChIKeyBNTMVHKLYKSYRG-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.41
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;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene?
The IUPAC name of ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene (CID 143193150) is ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene.
What is the SMILES notation for ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene?
The canonical SMILES for ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene is C=C.C=C(C)C.C=CC(C)(C)CCC(C)(C)C.
What is the InChIKey of ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene?
The InChIKey is BNTMVHKLYKSYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C4H8.C2H4/c1-7-11(5,6)9-8-10(2,3)4;1-4(2)3;1-2/h7H,1,8-9H2,2-6H3;1H2,2-3H3;1-2H2.
What are the key properties of ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene?
ethene;2-methylprop-1-ene;3,3,6,6-tetramethylhept-1-ene has a molecular weight of 238.46 g/mol, XLogP of 6.41, 3 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;3,3,6,6-tetramethylhept-1-ene is sourced from PubChem (CID 143193150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).