1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene

C20H32O — CID 174502600

IUPAC1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene
SMILESCCOC(C)c1cccc(C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H32O/c1-6-21-15(2)17-8-7-9-18(14-17)16-10-12-19(13-11-16)20(3,4)5/h7-9,14-16,19H,6,10-13H2,1-5H3
InChIKeyATXWAKFNFSTKGT-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.10
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene

1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene (PubChem CID 174502600) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene
PubChem CID174502600
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene
SMILESCCOC(C)c1cccc(C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C20H32O/c1-6-21-15(2)17-8-7-9-18(14-17)16-10-12-19(13-11-16)20(3,4)5/h7-9,14-16,19H,6,10-13H2,1-5H3
InChIKeyATXWAKFNFSTKGT-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 114603153
(2S)-2-(3-cyclopropylphenyl)propan-1-ol
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1-(3-cyclobutylphenyl)-2-ethoxybutan-1-amine
CID 114604686
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
[1-(3-cyclobutylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105342062
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321
1-(3-cyclopropylphenyl)undecan-1-ol
CID 79973186
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene (CID 174502600) is 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene is CCOC(C)c1cccc(C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene?
The InChIKey is ATXWAKFNFSTKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-6-21-15(2)17-8-7-9-18(14-17)16-10-12-19(13-11-16)20(3,4)5/h7-9,14-16,19H,6,10-13H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene?
1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene has a molecular weight of 288.48 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-3-(1-ethoxyethyl)benzene is sourced from PubChem (CID 174502600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).