1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde

C28H58O2 — CID 171788366

IUPAC1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde
SMILESC=O.CC.CC.CC.CC.CC.CCC(C)COc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26O.5C2H6.CH2O/c1-3-14(2)13-18-17-11-9-16(10-12-17)15-7-5-4-6-8-15;6*1-2/h9-12,14-15H,3-8,13H2,1-2H3;5*1-2H3;1H2
InChIKeyAKYHQWIUPRZEPK-UHFFFAOYSA-N
MW426.77 g/mol
LogP10.11
Rot. Bonds5

About 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde

1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde (PubChem CID 171788366) has the molecular formula C28H58O2 and a molecular weight of 426.77 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde
PubChem CID171788366
Molecular FormulaC28H58O2
Molecular Weight426.77 g/mol
Exact Mass426.44
IUPAC Name1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde
SMILESC=O.CC.CC.CC.CC.CC.CCC(C)COc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26O.5C2H6.CH2O/c1-3-14(2)13-18-17-11-9-16(10-12-17)15-7-5-4-6-8-15;6*1-2/h9-12,14-15H,3-8,13H2,1-2H3;5*1-2H3;1H2
InChIKeyAKYHQWIUPRZEPK-UHFFFAOYSA-N
XLogP10.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.77
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-methylbutoxy)phenyl]-1-(2-methylbutyl)cyclohexane-1-carbonitrile
CID 19979900
1-(4-decylcyclohexyl)-4-[4-(2-methylbutoxy)phenyl]benzene
CID 20539348
1-(2-methylbutoxy)-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539250
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753
2-chloro-1-[4-[(2R)-2-methylbutoxy]phenyl]-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144549629
4-[4-(2-methylpentoxy)phenyl]cyclohexane-1-carbonitrile
CID 22755298
[2-(4-fluorophenyl)phenyl] 4-[4-(2-methylbutoxy)phenyl]cyclohexane-1-carboxylate
CID 70499591
ethane;1-[(2R)-2-methylbutoxy]-4-methylsulfinylbenzene
CID 143417724
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
1-(4-cyclohexylphenoxy)-3-(4-ethylpiperazin-1-yl)propan-2-ol dichloride
CID 46863733

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde?
The IUPAC name of 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde (CID 171788366) is 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde.
What is the SMILES notation for 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde?
The canonical SMILES for 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde is C=O.CC.CC.CC.CC.CC.CCC(C)COc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde?
The InChIKey is AKYHQWIUPRZEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.5C2H6.CH2O/c1-3-14(2)13-18-17-11-9-16(10-12-17)15-7-5-4-6-8-15;6*1-2/h9-12,14-15H,3-8,13H2,1-2H3;5*1-2H3;1H2.
What are the key properties of 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde?
1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde has a molecular weight of 426.77 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-methylbutoxy)benzene;ethane;formaldehyde is sourced from PubChem (CID 171788366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).