1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene

C25H42O2 — CID 91554199

IUPAC1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene
SMILESCC(C)C(c1ccc(OC(C)(C)OCCC2CCCCC2)cc1)C(C)(C)C
InChIInChI=1S/C25H42O2/c1-19(2)23(24(3,4)5)21-13-15-22(16-14-21)27-25(6,7)26-18-17-20-11-9-8-10-12-20/h13-16,19-20,23H,8-12,17-18H2,1-7H3
InChIKeyUCHAVFBCYMGCIZ-UHFFFAOYSA-N
MW374.61 g/mol
LogP7.57
Rot. Bonds8

About 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene

1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene (PubChem CID 91554199) has the molecular formula C25H42O2 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene.

Molecular Properties

Compound Name1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene
PubChem CID91554199
Molecular FormulaC25H42O2
Molecular Weight374.61 g/mol
Exact Mass374.32
IUPAC Name1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene
SMILESCC(C)C(c1ccc(OC(C)(C)OCCC2CCCCC2)cc1)C(C)(C)C
InChIInChI=1S/C25H42O2/c1-19(2)23(24(3,4)5)21-13-15-22(16-14-21)27-25(6,7)26-18-17-20-11-9-8-10-12-20/h13-16,19-20,23H,8-12,17-18H2,1-7H3
InChIKeyUCHAVFBCYMGCIZ-UHFFFAOYSA-N
XLogP7.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 57.57
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-(3,3-dimethylbutan-2-yl)benzene
CID 123347568
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
CID 123735194
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123766383
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(2-methylhexan-3-yl)benzene
CID 123909741
2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
CID 143002013
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
1-[2-(2-cyclobutylethoxy)-1-iodopropan-2-yl]-4-propan-2-ylbenzene
CID 106204836
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene
CID 140648633
1-butan-2-yl-4-(2-ethoxypropan-2-yloxy)benzene
CID 21053289
2-propan-2-yloxyethylcycloheptane
CID 123201160

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene?
The IUPAC name of 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene (CID 91554199) is 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene.
What is the SMILES notation for 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene?
The canonical SMILES for 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene is CC(C)C(c1ccc(OC(C)(C)OCCC2CCCCC2)cc1)C(C)(C)C.
What is the InChIKey of 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene?
The InChIKey is UCHAVFBCYMGCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O2/c1-19(2)23(24(3,4)5)21-13-15-22(16-14-21)27-25(6,7)26-18-17-20-11-9-8-10-12-20/h13-16,19-20,23H,8-12,17-18H2,1-7H3.
What are the key properties of 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene?
1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene has a molecular weight of 374.61 g/mol, XLogP of 7.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene is sourced from PubChem (CID 91554199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).