1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene

C21H34O2 — CID 123335154

IUPAC1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene
SMILESCCC(c1cccc(OC(C)OC2CCCCC2)c1)C(C)(C)C
InChIInChI=1S/C21H34O2/c1-6-20(21(3,4)5)17-11-10-14-19(15-17)23-16(2)22-18-12-8-7-9-13-18/h10-11,14-16,18,20H,6-9,12-13H2,1-5H3
InChIKeyJIZAIQRGUAPCJE-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.30
Rot. Bonds6

About 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene

1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene (PubChem CID 123335154) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene.

Molecular Properties

Compound Name1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene
PubChem CID123335154
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene
SMILESCCC(c1cccc(OC(C)OC2CCCCC2)c1)C(C)(C)C
InChIInChI=1S/C21H34O2/c1-6-20(21(3,4)5)17-11-10-14-19(15-17)23-16(2)22-18-12-8-7-9-13-18/h10-11,14-16,18,20H,6-9,12-13H2,1-5H3
InChIKeyJIZAIQRGUAPCJE-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.30
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-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
CID 22726294
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123324499
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
3-[3-(2,2-dimethylpentan-3-yl)phenoxy]propane-1-thiol
CID 144560670
1-(2-bromo-1-cyclopentyloxyethyl)-3-methoxybenzene
CID 62113881
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
1-[3-(3,3-dimethylbutan-2-yloxy)phenyl]ethanamine
CID 117052163
2-cyclohexylpropan-2-yl 2-(3-butan-2-ylphenoxy)acetate
CID 59409223
(3-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methanol
CID 59460177
2-cyclohexyloxy-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 62106648
N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine
CID 132649569
3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine
CID 123713029

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene?
The IUPAC name of 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene (CID 123335154) is 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene.
What is the SMILES notation for 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene?
The canonical SMILES for 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene is CCC(c1cccc(OC(C)OC2CCCCC2)c1)C(C)(C)C.
What is the InChIKey of 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene?
The InChIKey is JIZAIQRGUAPCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-6-20(21(3,4)5)17-11-10-14-19(15-17)23-16(2)22-18-12-8-7-9-13-18/h10-11,14-16,18,20H,6-9,12-13H2,1-5H3.
What are the key properties of 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene?
1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene has a molecular weight of 318.50 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene is sourced from PubChem (CID 123335154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).