1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene

C21H34O2 — CID 140648633

IUPAC1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene
SMILESCCc1ccc(OC(OCCC2CCCCC2)C(C)(C)C)cc1
InChIInChI=1S/C21H34O2/c1-5-17-11-13-19(14-12-17)23-20(21(2,3)4)22-16-15-18-9-7-6-8-10-18/h11-14,18,20H,5-10,15-16H2,1-4H3
InChIKeyXLXGBJZGJFCENF-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.99
Rot. Bonds7

About 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene

1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene (PubChem CID 140648633) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene.

Molecular Properties

Compound Name1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene
PubChem CID140648633
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene
SMILESCCc1ccc(OC(OCCC2CCCCC2)C(C)(C)C)cc1
InChIInChI=1S/C21H34O2/c1-5-17-11-13-19(14-12-17)23-20(21(2,3)4)22-16-15-18-9-7-6-8-10-18/h11-14,18,20H,5-10,15-16H2,1-4H3
InChIKeyXLXGBJZGJFCENF-UHFFFAOYSA-N
XLogP5.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123766383
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
CID 123347568
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene
CID 140653876
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(2-methylhexan-3-yl)benzene
CID 123909741
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
2-(2-cyclobutylethoxy)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 106200984
1-[2-cyclohexylethoxy-[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]methyl]adamantane
CID 123755292
1-[(4-butylphenoxy)-(2-cyclohexylethoxy)methyl]naphthalene
CID 123154888

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene?
The IUPAC name of 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene (CID 140648633) is 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene.
What is the SMILES notation for 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene?
The canonical SMILES for 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene is CCc1ccc(OC(OCCC2CCCCC2)C(C)(C)C)cc1.
What is the InChIKey of 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene?
The InChIKey is XLXGBJZGJFCENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-5-17-11-13-19(14-12-17)23-20(21(2,3)4)22-16-15-18-9-7-6-8-10-18/h11-14,18,20H,5-10,15-16H2,1-4H3.
What are the key properties of 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene?
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene has a molecular weight of 318.50 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene is sourced from PubChem (CID 140648633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).