2,3,4,5,5,6-hexamethylhept-3-ene

C13H26 — CID 72591969

IUPAC2,3,4,5,5,6-hexamethylhept-3-ene
SMILESCC(=C(C)C(C)(C)C(C)C)C(C)C
InChIInChI=1S/C13H26/c1-9(2)11(5)12(6)13(7,8)10(3)4/h9-10H,1-8H3
InChIKeyNGODUQZCVWYQAA-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.66
Rot. Bonds3

About 2,3,4,5,5,6-hexamethylhept-3-ene

2,3,4,5,5,6-hexamethylhept-3-ene (PubChem CID 72591969) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,3,4,5,5,6-hexamethylhept-3-ene.

Molecular Properties

Compound Name2,3,4,5,5,6-hexamethylhept-3-ene
PubChem CID72591969
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,3,4,5,5,6-hexamethylhept-3-ene
SMILESCC(=C(C)C(C)(C)C(C)C)C(C)C
InChIInChI=1S/C13H26/c1-9(2)11(5)12(6)13(7,8)10(3)4/h9-10H,1-8H3
InChIKeyNGODUQZCVWYQAA-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol
CID 143337423
(Z)-3,3,4,5,6,6,7-heptamethyloct-4-en-2-one
CID 166508440
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
2,3,3,5-tetramethyl-4-methylidenehexane
CID 90998218
2,3,4,6,6,7-hexamethyloct-3-ene
CID 72602865
2,3,4-trimethylpent-2-ene
CID 11270
methane;2,3,4,5-tetramethylhexane;(Z)-2,3,4,5-tetramethylhex-3-ene
CID 162024182
3,3,4-trimethylpent-1-en-2-ol
CID 89381849
2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
CID 123882095
(Z)-3,4-dimethylpent-2-ene-2-thiol
CID 176996545
2,3-dimethylbutan-2-ylazanium
CID 19594176
2,3-dimethyl(213C)butan-2-ol
CID 100985919

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,5,6-hexamethylhept-3-ene?
The IUPAC name of 2,3,4,5,5,6-hexamethylhept-3-ene (CID 72591969) is 2,3,4,5,5,6-hexamethylhept-3-ene.
What is the SMILES notation for 2,3,4,5,5,6-hexamethylhept-3-ene?
The canonical SMILES for 2,3,4,5,5,6-hexamethylhept-3-ene is CC(=C(C)C(C)(C)C(C)C)C(C)C.
What is the InChIKey of 2,3,4,5,5,6-hexamethylhept-3-ene?
The InChIKey is NGODUQZCVWYQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-9(2)11(5)12(6)13(7,8)10(3)4/h9-10H,1-8H3.
What are the key properties of 2,3,4,5,5,6-hexamethylhept-3-ene?
2,3,4,5,5,6-hexamethylhept-3-ene has a molecular weight of 182.35 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,5,6-hexamethylhept-3-ene is sourced from PubChem (CID 72591969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).