1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol

C13H26O2 — CID 105102501

IUPAC1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC1CCC(C(O)COC(C)(C)C)CC1
InChIInChI=1S/C13H26O2/c1-10-5-7-11(8-6-10)12(14)9-15-13(2,3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyIMEBNEYPDXPTEU-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds3

About 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol

1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 105102501) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID105102501
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC1CCC(C(O)COC(C)(C)C)CC1
InChIInChI=1S/C13H26O2/c1-10-5-7-11(8-6-10)12(14)9-15-13(2,3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyIMEBNEYPDXPTEU-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105103646
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
1-cyclopropyl-3-(4-methylcyclohexyl)propan-1-ol
CID 64775324
1-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 104753771
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
4-methoxy-3-methyl-1-(4-methylcyclohexyl)butan-1-ol
CID 105102620
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 157185666
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
[(1R,3S)-3-methylcyclopentyl]methanediol
CID 163440646
2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol
CID 65131092
3-butoxy-1-(4-methylcyclohexyl)propan-1-ol
CID 115003111
2-aminooxy-1-cyclopropylethanol
CID 22286083

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 105102501) is 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol is CC1CCC(C(O)COC(C)(C)C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is IMEBNEYPDXPTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10-5-7-11(8-6-10)12(14)9-15-13(2,3)4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 105102501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).