(E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene

C16H34 — CID 161251628

IUPAC(E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene
SMILESC.C/C=C/C(C)(C)C.CC(C)=CC(C)(C)C
InChIInChI=1S/C8H16.C7H14.CH4/c1-7(2)6-8(3,4)5;1-5-6-7(2,3)4;/h6H,1-5H3;5-6H,1-4H3;1H4/b;6-5+;
InChIKeyVBIRESSWKUWHEL-AUNBPGBOSA-N
MW226.45 g/mol
LogP6.24
Rot. Bonds

About (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene

(E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene (PubChem CID 161251628) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene.

Molecular Properties

Compound Name(E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene
PubChem CID161251628
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name(E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene
SMILESC.C/C=C/C(C)(C)C.CC(C)=CC(C)(C)C
InChIInChI=1S/C8H16.C7H14.CH4/c1-7(2)6-8(3,4)5;1-5-6-7(2,3)4;/h6H,1-5H3;5-6H,1-4H3;1H4/b;6-5+;
InChIKeyVBIRESSWKUWHEL-AUNBPGBOSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.24
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 (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene?
The IUPAC name of (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene (CID 161251628) is (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene.
What is the SMILES notation for (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene?
The canonical SMILES for (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene is C.C/C=C/C(C)(C)C.CC(C)=CC(C)(C)C.
What is the InChIKey of (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene?
The InChIKey is VBIRESSWKUWHEL-AUNBPGBOSA-N. The full InChI is InChI=1S/C8H16.C7H14.CH4/c1-7(2)6-8(3,4)5;1-5-6-7(2,3)4;/h6H,1-5H3;5-6H,1-4H3;1H4/b;6-5+;.
What are the key properties of (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene?
(E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene has a molecular weight of 226.45 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene is sourced from PubChem (CID 161251628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).