2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene

C20H40 — CID 59479981

IUPAC2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene
SMILESCC(C)CC=C(CC(C)C)C(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40/c1-14(2)11-12-19(13-15(3)4)20(16(5)6,17(7)8)18(9)10/h12,14-18H,11,13H2,1-10H3
InChIKeyWEIIXSDUXPBTSZ-UHFFFAOYSA-N
MW280.54 g/mol
LogP6.96
Rot. Bonds8

About 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene

2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene (PubChem CID 59479981) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene.

Molecular Properties

Compound Name2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene
PubChem CID59479981
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene
SMILESCC(C)CC=C(CC(C)C)C(C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40/c1-14(2)11-12-19(13-15(3)4)20(16(5)6,17(7)8)18(9)10/h12,14-18H,11,13H2,1-10H3
InChIKeyWEIIXSDUXPBTSZ-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 56.96
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 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene?
The IUPAC name of 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene (CID 59479981) is 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene.
What is the SMILES notation for 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene?
The canonical SMILES for 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene is CC(C)CC=C(CC(C)C)C(C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene?
The InChIKey is WEIIXSDUXPBTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-14(2)11-12-19(13-15(3)4)20(16(5)6,17(7)8)18(9)10/h12,14-18H,11,13H2,1-10H3.
What are the key properties of 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene?
2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene has a molecular weight of 280.54 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-(2-methylpropyl)-3,3-di(propan-2-yl)oct-4-ene is sourced from PubChem (CID 59479981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).