1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene

C22H36O2 — CID 123347568

IUPAC1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
SMILESCC(OCCC1CCCCC1)Oc1ccc(C(C)C(C)(C)C)cc1
InChIInChI=1S/C22H36O2/c1-17(22(3,4)5)20-11-13-21(14-12-20)24-18(2)23-16-15-19-9-7-6-8-10-19/h11-14,17-19H,6-10,15-16H2,1-5H3
InChIKeyUPRXNDYJWITAMA-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.55
Rot. Bonds7

About 1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene

1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene (PubChem CID 123347568) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
PubChem CID123347568
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
SMILESCC(OCCC1CCCCC1)Oc1ccc(C(C)C(C)(C)C)cc1
InChIInChI=1S/C22H36O2/c1-17(22(3,4)5)20-11-13-21(14-12-20)24-18(2)23-16-15-19-9-7-6-8-10-19/h11-14,17-19H,6-10,15-16H2,1-5H3
InChIKeyUPRXNDYJWITAMA-UHFFFAOYSA-N
XLogP6.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.55
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)ethoxy]-4-(2-methylhexan-3-yl)benzene
CID 123909741
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-[1-(2-cyclohexylethoxy)ethoxy]-4-phenyliodanuidylbenzene
CID 59503192
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123766383
[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl] 2-ethyl-2,4,4-trimethylpentanoate;ethane
CID 144740755
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene
CID 140648633
4-[4-(4-tert-butylphenyl)-8-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-6-(4-propan-2-yloxyphenyl)decan-2-yl]phenol
CID 20758424
4-[4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]phenyl]-2,5-dimethylhexan-2-amine
CID 123490270
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 123756996
1-cyclohexyl-4-[2-[1-[4-(2,2,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethoxy]benzene
CID 90780259
1-[1-[2-(benzenesulfinyl)ethoxy]ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
CID 143952498

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene?
The IUPAC name of 1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene (CID 123347568) is 1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene.
What is the SMILES notation for 1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene?
The canonical SMILES for 1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene is CC(OCCC1CCCCC1)Oc1ccc(C(C)C(C)(C)C)cc1.
What is the InChIKey of 1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene?
The InChIKey is UPRXNDYJWITAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2/c1-17(22(3,4)5)20-11-13-21(14-12-20)24-18(2)23-16-15-19-9-7-6-8-10-19/h11-14,17-19H,6-10,15-16H2,1-5H3.
What are the key properties of 1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene?
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene has a molecular weight of 332.53 g/mol, XLogP of 6.55, 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)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene is sourced from PubChem (CID 123347568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).