2,2,6,6,7,7-hexamethyloct-3-ene

C14H28 — CID 140627496

IUPAC2,2,6,6,7,7-hexamethyloct-3-ene
SMILESCC(C)(C)C=CCC(C)(C)C(C)(C)C
InChIInChI=1S/C14H28/c1-12(2,3)10-9-11-14(7,8)13(4,5)6/h9-10H,11H2,1-8H3
InChIKeyNHPMHKKPXMECPB-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.05
Rot. Bonds2

About 2,2,6,6,7,7-hexamethyloct-3-ene

2,2,6,6,7,7-hexamethyloct-3-ene (PubChem CID 140627496) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2,2,6,6,7,7-hexamethyloct-3-ene.

Molecular Properties

Compound Name2,2,6,6,7,7-hexamethyloct-3-ene
PubChem CID140627496
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2,2,6,6,7,7-hexamethyloct-3-ene
SMILESCC(C)(C)C=CCC(C)(C)C(C)(C)C
InChIInChI=1S/C14H28/c1-12(2,3)10-9-11-14(7,8)13(4,5)6/h9-10H,11H2,1-8H3
InChIKeyNHPMHKKPXMECPB-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.05
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 2,2,6,6,7,7-hexamethyloct-3-ene?
The IUPAC name of 2,2,6,6,7,7-hexamethyloct-3-ene (CID 140627496) is 2,2,6,6,7,7-hexamethyloct-3-ene.
What is the SMILES notation for 2,2,6,6,7,7-hexamethyloct-3-ene?
The canonical SMILES for 2,2,6,6,7,7-hexamethyloct-3-ene is CC(C)(C)C=CCC(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,6,6,7,7-hexamethyloct-3-ene?
The InChIKey is NHPMHKKPXMECPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-12(2,3)10-9-11-14(7,8)13(4,5)6/h9-10H,11H2,1-8H3.
What are the key properties of 2,2,6,6,7,7-hexamethyloct-3-ene?
2,2,6,6,7,7-hexamethyloct-3-ene has a molecular weight of 196.38 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6,7,7-hexamethyloct-3-ene is sourced from PubChem (CID 140627496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).