2,3,4,6,6,7-hexamethyloct-3-ene

C14H28 — CID 72602865

IUPAC2,3,4,6,6,7-hexamethyloct-3-ene
SMILESCC(CC(C)(C)C(C)C)=C(C)C(C)C
InChIInChI=1S/C14H28/c1-10(2)13(6)12(5)9-14(7,8)11(3)4/h10-11H,9H2,1-8H3
InChIKeyVTBXENPDPUZSMQ-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.05
Rot. Bonds4

About 2,3,4,6,6,7-hexamethyloct-3-ene

2,3,4,6,6,7-hexamethyloct-3-ene (PubChem CID 72602865) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2,3,4,6,6,7-hexamethyloct-3-ene.

Molecular Properties

Compound Name2,3,4,6,6,7-hexamethyloct-3-ene
PubChem CID72602865
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2,3,4,6,6,7-hexamethyloct-3-ene
SMILESCC(CC(C)(C)C(C)C)=C(C)C(C)C
InChIInChI=1S/C14H28/c1-10(2)13(6)12(5)9-14(7,8)11(3)4/h10-11H,9H2,1-8H3
InChIKeyVTBXENPDPUZSMQ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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 2,3,4,6,6,7-hexamethyloct-3-ene?
The IUPAC name of 2,3,4,6,6,7-hexamethyloct-3-ene (CID 72602865) is 2,3,4,6,6,7-hexamethyloct-3-ene.
What is the SMILES notation for 2,3,4,6,6,7-hexamethyloct-3-ene?
The canonical SMILES for 2,3,4,6,6,7-hexamethyloct-3-ene is CC(CC(C)(C)C(C)C)=C(C)C(C)C.
What is the InChIKey of 2,3,4,6,6,7-hexamethyloct-3-ene?
The InChIKey is VTBXENPDPUZSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10(2)13(6)12(5)9-14(7,8)11(3)4/h10-11H,9H2,1-8H3.
What are the key properties of 2,3,4,6,6,7-hexamethyloct-3-ene?
2,3,4,6,6,7-hexamethyloct-3-ene has a molecular weight of 196.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,6,7-hexamethyloct-3-ene is sourced from PubChem (CID 72602865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).