2,3,5,6,6-pentamethylhept-3-ene

C12H24 — CID 76726619

IUPAC2,3,5,6,6-pentamethylhept-3-ene
SMILESCC(=CC(C)C(C)(C)C)C(C)C
InChIInChI=1S/C12H24/c1-9(2)10(3)8-11(4)12(5,6)7/h8-9,11H,1-7H3
InChIKeyXAMOVVKZJNQYCB-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds2

About 2,3,5,6,6-pentamethylhept-3-ene

2,3,5,6,6-pentamethylhept-3-ene (PubChem CID 76726619) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2,3,5,6,6-pentamethylhept-3-ene.

Molecular Properties

Compound Name2,3,5,6,6-pentamethylhept-3-ene
PubChem CID76726619
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2,3,5,6,6-pentamethylhept-3-ene
SMILESCC(=CC(C)C(C)(C)C)C(C)C
InChIInChI=1S/C12H24/c1-9(2)10(3)8-11(4)12(5,6)7/h8-9,11H,1-7H3
InChIKeyXAMOVVKZJNQYCB-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
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

(4R)-2,4,5,5-tetramethylhex-2-ene
CID 172513214
[(E)-2-ethyl-2,3,5,6-tetramethylhept-4-enyl]phosphane
CID 137420402
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
(Z)-3-tert-butyl-5,6,6-trimethylhept-3-en-2-one
CID 123812244
2-(2,3,3-trimethylbutylidene)propanedinitrile
CID 15247712
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene
CID 144514446
[(E)-1-[dimethyl(2-methylbutan-2-yl)silyl]-3,4-dimethylpent-2-enyl]-trimethylsilane
CID 5366629
(E,5S)-2,2,4,5,6,6-hexamethylhept-3-ene
CID 59026949
(4Z,6E)-7,8-dimethylnona-4,6-dien-2-ol
CID 142105657
(3Z,5E)-6,7-dimethylocta-1,3,5-trien-2-amine
CID 130346405
2,4,6,6-tetramethylhept-3-ene
CID 76726617

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,6-pentamethylhept-3-ene?
The IUPAC name of 2,3,5,6,6-pentamethylhept-3-ene (CID 76726619) is 2,3,5,6,6-pentamethylhept-3-ene.
What is the SMILES notation for 2,3,5,6,6-pentamethylhept-3-ene?
The canonical SMILES for 2,3,5,6,6-pentamethylhept-3-ene is CC(=CC(C)C(C)(C)C)C(C)C.
What is the InChIKey of 2,3,5,6,6-pentamethylhept-3-ene?
The InChIKey is XAMOVVKZJNQYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-9(2)10(3)8-11(4)12(5,6)7/h8-9,11H,1-7H3.
What are the key properties of 2,3,5,6,6-pentamethylhept-3-ene?
2,3,5,6,6-pentamethylhept-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,6-pentamethylhept-3-ene is sourced from PubChem (CID 76726619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).