(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene

C16H22 — CID 59224827

IUPAC(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
SMILESCCC1=C(c2ccccc2)CCC(C)(C)C1
InChIInChI=1S/C16H22/c1-4-13-12-16(2,3)11-10-15(13)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
InChIKeyYLIPIDPWPJJFHJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.06
Rot. Bonds2

About (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene

(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene (PubChem CID 59224827) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
PubChem CID59224827
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
SMILESCCC1=C(c2ccccc2)CCC(C)(C)C1
InChIInChI=1S/C16H22/c1-4-13-12-16(2,3)11-10-15(13)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
InChIKeyYLIPIDPWPJJFHJ-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
methyl 2-[2-(3-methoxyphenyl)-5,5-dimethylcyclohexen-1-yl]acetate
CID 59504388
diethyl 2-ethyl-3-phenylcyclopent-2-ene-1,1-dicarboxylate
CID 155818776
(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667552
5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
CID 142736509
2-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-1,2,3,4-tetrahydropyrazine
CID 141167835
(2-decylcyclobuten-1-yl)benzene
CID 10825946
1-(3,3-dimethyl-2-phenylcyclopenten-1-yl)-4-methylbenzene
CID 139043864
1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene
CID 69123397
(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667594
1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene
CID 59734944
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene?
The IUPAC name of (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene (CID 59224827) is (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene.
What is the SMILES notation for (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene?
The canonical SMILES for (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene is CCC1=C(c2ccccc2)CCC(C)(C)C1.
What is the InChIKey of (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene?
The InChIKey is YLIPIDPWPJJFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-4-13-12-16(2,3)11-10-15(13)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3.
What are the key properties of (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene?
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene has a molecular weight of 214.35 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene is sourced from PubChem (CID 59224827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).