1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene

C17H26O — CID 163016904

IUPAC1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene
SMILESCCOC1CCC(C)(c2ccc(C)cc2)C1(C)C
InChIInChI=1S/C17H26O/c1-6-18-15-11-12-17(5,16(15,3)4)14-9-7-13(2)8-10-14/h7-10,15H,6,11-12H2,1-5H3
InChIKeyFKQTYPVJNQCQCR-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.48
Rot. Bonds3

About 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene

1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene (PubChem CID 163016904) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene
PubChem CID163016904
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene
SMILESCCOC1CCC(C)(c2ccc(C)cc2)C1(C)C
InChIInChI=1S/C17H26O/c1-6-18-15-11-12-17(5,16(15,3)4)14-9-7-13(2)8-10-14/h7-10,15H,6,11-12H2,1-5H3
InChIKeyFKQTYPVJNQCQCR-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-Phenylpropyl)tetrahydrofuran
CID 62490
Rhubafuran
CID 113514
alpha-Cuparenol
CID 5316200
Cyclopentanol, 3,3,4-trimethyl-4-p-tolyl-, (R,R)-(+)-
CID 5316202
(2R,4R)-2,4-dimethyl-4-phenyloxolane
CID 12104428
cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol
CID 5318539
[(1S,2S)-1,2-dimethyl-2-(4-methylphenyl)cyclopentyl]methyl acetate
CID 11086515
trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol
CID 101324800
2-Methyl-4,4-diphenyloxolane
CID 24799575
Furan, tetrahydro-2-(3-phenylpropyl)-, (2R)-
CID 11321438
1-Tert-butyl-4-(1-fluoro-3-methoxypropyl)benzene
CID 177852985
[(2R)-2-ethenoxy-1-phenylcyclopentyl]benzene
CID 10084184

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene?
The IUPAC name of 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene (CID 163016904) is 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene.
What is the SMILES notation for 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene?
The canonical SMILES for 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene is CCOC1CCC(C)(c2ccc(C)cc2)C1(C)C.
What is the InChIKey of 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene?
The InChIKey is FKQTYPVJNQCQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-6-18-15-11-12-17(5,16(15,3)4)14-9-7-13(2)8-10-14/h7-10,15H,6,11-12H2,1-5H3.
What are the key properties of 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene?
1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene has a molecular weight of 246.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1,2,2-trimethylcyclopentyl)-4-methylbenzene is sourced from PubChem (CID 163016904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).