1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene

C17H28 — CID 175334159

IUPAC1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene
SMILESCC(C)=C(C)C1(C)C(C)=C(C)C(C)=C(C)C1C
InChIInChI=1S/C17H28/c1-10(2)14(6)17(9)15(7)12(4)11(3)13(5)16(17)8/h15H,1-9H3
InChIKeyRUGOHGRDYAKZSH-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.67
Rot. Bonds1

About 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene

1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene (PubChem CID 175334159) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene
PubChem CID175334159
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene
SMILESCC(C)=C(C)C1(C)C(C)=C(C)C(C)=C(C)C1C
InChIInChI=1S/C17H28/c1-10(2)14(6)17(9)15(7)12(4)11(3)13(5)16(17)8/h15H,1-9H3
InChIKeyRUGOHGRDYAKZSH-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.67
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

1,3,5-Tris(1,1-dimethylethyl)-1,3-cyclopentadiene
CID 11075368
Cyclobutane,1,1,2,2-tetramethyl-3,4-bis(1-methylethylidene)-
CID 136913
(3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene
CID 53310786
3-Ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene
CID 76006796
Bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decamethyl-
CID 585949
Octamethyl-1,3-cyclohexadiene
CID 600938
3,4-Ditert-butyl-2,5-dimethylhexa-2,4-diene
CID 15696317
2,5,5-Trimethyl-4-methylidene-3-propan-2-ylhex-2-ene
CID 15696340
1-Methylene-2,3,4,5,6,6-hexamethyl-2,4-cyclohexadiene
CID 13480441
Hexamethylcyclohexadiene
CID 20678433
1,2,3,3,4-Pentamethylcyclobutene
CID 54233969
2-Tert-butyl-5-(4-tert-butylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 57179728

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene (CID 175334159) is 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene is CC(C)=C(C)C1(C)C(C)=C(C)C(C)=C(C)C1C.
What is the InChIKey of 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene?
The InChIKey is RUGOHGRDYAKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-10(2)14(6)17(9)15(7)12(4)11(3)13(5)16(17)8/h15H,1-9H3.
What are the key properties of 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene?
1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene has a molecular weight of 232.41 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethyl-5-(3-methylbut-2-en-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 175334159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).