5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene

C17H28 — CID 163761280

IUPAC5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene
SMILESCC1C=CC(C(C)(C)C2CCC(C)CC2)=CC1
InChIInChI=1S/C17H28/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h5,9-10,13-14,16H,6-8,11-12H2,1-4H3
InChIKeyLYKBLIKTWHFUBX-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.36
Rot. Bonds2

About 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene

5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene (PubChem CID 163761280) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene
PubChem CID163761280
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene
SMILESCC1C=CC(C(C)(C)C2CCC(C)CC2)=CC1
InChIInChI=1S/C17H28/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h5,9-10,13-14,16H,6-8,11-12H2,1-4H3
InChIKeyLYKBLIKTWHFUBX-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene
CID 163777121
4-methyl-1-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexene
CID 143303546
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
1-amino-2-(4-methylcyclohexyl)propan-2-ol
CID 66039594
2-(4-tert-butylcyclohexen-1-yl)-5-methylpiperidine
CID 164750238
2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene
CID 139627561
(4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol
CID 143290825

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene (CID 163761280) is 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene is CC1C=CC(C(C)(C)C2CCC(C)CC2)=CC1.
What is the InChIKey of 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene?
The InChIKey is LYKBLIKTWHFUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16/h5,9-10,13-14,16H,6-8,11-12H2,1-4H3.
What are the key properties of 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene?
5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene has a molecular weight of 232.41 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 163761280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).