2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol

C13H26O4 — CID 104564712

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol
SMILESCOCCOCCOC1C(C)CC(C)CC1O
InChIInChI=1S/C13H26O4/c1-10-8-11(2)13(12(14)9-10)17-7-6-16-5-4-15-3/h10-14H,4-9H2,1-3H3
InChIKeyKZMMMGLLLLYGSO-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol

2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol (PubChem CID 104564712) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol
PubChem CID104564712
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol
SMILESCOCCOCCOC1C(C)CC(C)CC1O
InChIInChI=1S/C13H26O4/c1-10-8-11(2)13(12(14)9-10)17-7-6-16-5-4-15-3/h10-14H,4-9H2,1-3H3
InChIKeyKZMMMGLLLLYGSO-UHFFFAOYSA-N
XLogP1.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)-3,5-dimethylcyclohexan-1-ol
CID 64751700
3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
CID 112588812
2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol
CID 106203905
2-[2-(2-methoxyethoxy)ethoxy]-4-methyl-1-prop-1-en-2-ylcyclohexane
CID 67096057
2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-ol
CID 103176139
(7S)-6-[2-[2-[[(7R)-8,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl]oxy]ethoxy]ethoxy]-8,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decane
CID 168771003
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-(3-methoxypropoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751601
3-[2-(2-methoxyethoxy)ethoxy]oxan-4-ol
CID 104564677
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol (CID 104564712) is 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol is COCCOCCOC1C(C)CC(C)CC1O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is KZMMMGLLLLYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-10-8-11(2)13(12(14)9-10)17-7-6-16-5-4-15-3/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol?
2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 104564712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).