4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene

C16H32 — CID 13396724

IUPAC4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene
SMILESCC(C)(C)C=C(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h10H,11-12H2,1-9H3
InChIKeySEGJKPWHSIYVBS-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.83
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene

4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene (PubChem CID 13396724) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene
PubChem CID13396724
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene
SMILESCC(C)(C)C=C(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C16H32/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h10H,11-12H2,1-9H3
InChIKeySEGJKPWHSIYVBS-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.83
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 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene?
The IUPAC name of 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene (CID 13396724) is 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene is CC(C)(C)C=C(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene?
The InChIKey is SEGJKPWHSIYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h10H,11-12H2,1-9H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene?
4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene has a molecular weight of 224.43 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethylhept-3-ene is sourced from PubChem (CID 13396724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).