1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene

C20H34 — CID 123604594

IUPAC1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene
SMILESCC1=C(C)CC(C)(C)C(CC2=C(C)CCC(C)(C)C2)C1
InChIInChI=1S/C20H34/c1-14-8-9-19(4,5)13-17(14)11-18-10-15(2)16(3)12-20(18,6)7/h18H,8-13H2,1-7H3
InChIKeyUKZJGPABMKSBOG-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.68
Rot. Bonds2

About 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene

1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene (PubChem CID 123604594) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene.

Molecular Properties

Compound Name1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene
PubChem CID123604594
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene
SMILESCC1=C(C)CC(C)(C)C(CC2=C(C)CCC(C)(C)C2)C1
InChIInChI=1S/C20H34/c1-14-8-9-19(4,5)13-17(14)11-18-10-15(2)16(3)12-20(18,6)7/h18H,8-13H2,1-7H3
InChIKeyUKZJGPABMKSBOG-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.68
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

methane;1,2,4,4-tetramethylcyclohexene
CID 153358945
1,2,4,4,6-pentamethylcycloheptene
CID 91222128
6-(hydroxymethyl)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid
CID 14471683
2,5-dimethylbicyclo[3.1.0]hex-1-ene
CID 91551735
ethane;1,2,4,4-tetramethylcyclopentene
CID 144931776
6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol
CID 130128432
2,5,5-trimethylbicyclo[2.2.1]hept-1-ene
CID 57027101
1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene
CID 142035331
1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene
CID 59734944
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 59224827
4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one
CID 15073434
1-(1,3,4-trimethylcyclohex-3-en-1-yl)pentan-1-ol
CID 118389071

Frequently Asked Questions

What is the IUPAC name of 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene?
The IUPAC name of 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene (CID 123604594) is 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene.
What is the SMILES notation for 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene?
The canonical SMILES for 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene is CC1=C(C)CC(C)(C)C(CC2=C(C)CCC(C)(C)C2)C1.
What is the InChIKey of 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene?
The InChIKey is UKZJGPABMKSBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-14-8-9-19(4,5)13-17(14)11-18-10-15(2)16(3)12-20(18,6)7/h18H,8-13H2,1-7H3.
What are the key properties of 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene?
1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene has a molecular weight of 274.49 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene is sourced from PubChem (CID 123604594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).