1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene

C24H40O2 — CID 123735194

IUPAC1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
SMILESCC(C)C(Oc1ccc(C(C(C)C)C(C)(C)C)cc1)OC1CCCCC1
InChIInChI=1S/C24H40O2/c1-17(2)22(24(5,6)7)19-13-15-21(16-14-19)26-23(18(3)4)25-20-11-9-8-10-12-20/h13-18,20,22-23H,8-12H2,1-7H3
InChIKeyHSFKKFCCMWKLSE-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.18
Rot. Bonds7

About 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene

1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene (PubChem CID 123735194) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene.

Molecular Properties

Compound Name1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
PubChem CID123735194
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
SMILESCC(C)C(Oc1ccc(C(C(C)C)C(C)(C)C)cc1)OC1CCCCC1
InChIInChI=1S/C24H40O2/c1-17(2)22(24(5,6)7)19-13-15-21(16-14-19)26-23(18(3)4)25-20-11-9-8-10-12-20/h13-18,20,22-23H,8-12H2,1-7H3
InChIKeyHSFKKFCCMWKLSE-UHFFFAOYSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.18
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-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123324499
1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
CID 123686379
(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
CID 20788615
1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
CID 22726294
1-[2-(2-cyclohexylethoxy)propan-2-yloxy]-4-(2,2,4-trimethylpentan-3-yl)benzene
CID 91554199
[4-[2-methyl-1-(oxan-4-yloxy)propoxy]phenyl] 2,2-dimethylbutanoate
CID 118423876
1-[cyclohexyloxy-(1-ethylcyclohexyl)methoxy]-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123863336
1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene
CID 123335154
1-(1-cyclohexyloxy-2-methylpropoxy)-4-propan-2-ylsulfanylbenzene;1-(2-cyclohexyloxypropan-2-yloxy)-4-propan-2-ylsulfanylbenzene;2-[1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylsulfanylphenyl)propan-2-yl]oxyoxane
CID 161467427
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene
CID 22057357
3-(1-cyclohexyloxy-2-methylpropoxy)-4-(trifluoromethyl)benzoic acid
CID 170686570

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene?
The IUPAC name of 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene (CID 123735194) is 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene.
What is the SMILES notation for 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene?
The canonical SMILES for 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene is CC(C)C(Oc1ccc(C(C(C)C)C(C)(C)C)cc1)OC1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene?
The InChIKey is HSFKKFCCMWKLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-17(2)22(24(5,6)7)19-13-15-21(16-14-19)26-23(18(3)4)25-20-11-9-8-10-12-20/h13-18,20,22-23H,8-12H2,1-7H3.
What are the key properties of 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene?
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene has a molecular weight of 360.58 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene is sourced from PubChem (CID 123735194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).