3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol

C10H22O4 — CID 547959

IUPAC3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol
SMILESCCC(OCOCCOC)C(C)CO
InChIInChI=1S/C10H22O4/c1-4-10(9(2)7-11)14-8-13-6-5-12-3/h9-11H,4-8H2,1-3H3
InChIKeyQSHAGCAFXFQAIC-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.03
Rot. Bonds9

About 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol

3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol (PubChem CID 547959) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol
PubChem CID547959
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol
SMILESCCC(OCOCCOC)C(C)CO
InChIInChI=1S/C10H22O4/c1-4-10(9(2)7-11)14-8-13-6-5-12-3/h9-11H,4-8H2,1-3H3
InChIKeyQSHAGCAFXFQAIC-UHFFFAOYSA-N
XLogP1.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-1,1-dimethoxy-2-methylpentan-3-ol
CID 101370806
(2R,3R)-1,1-dimethoxy-2,4-dimethylpentan-3-ol
CID 101370808
(2S)-2-(2-ethyl-1,3-dioxolan-2-yl)propan-1-ol
CID 130777292
(2R,3R)-1,1-dimethoxy-4-methylpentane-2,3-diol
CID 162402913
1,1-Dibutoxy-2-methylpentane-2,4-diol
CID 91844562
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
CID 10464798
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methylpropan-1-ol
CID 13822080
2-[2-(Propan-2-yl)-1,3-dioxolan-2-yl]ethan-1-ol
CID 14162337
1-(1,3-Dioxolan-4-yl)-2-methylpropan-1-ol
CID 19900604
2-(2-Hydroxypentoxymethoxy)butane-2,3-diol
CID 22085877
2-[(2-Butoxy-4-hydroxy-3-methoxybutan-2-yl)oxy-pentoxymethyl]butan-1-ol
CID 53930499
2-(Methoxymethoxy)-3-methylpentan-1-ol
CID 54465931

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol?
The IUPAC name of 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol (CID 547959) is 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol.
What is the SMILES notation for 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol?
The canonical SMILES for 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol is CCC(OCOCCOC)C(C)CO.
What is the InChIKey of 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol?
The InChIKey is QSHAGCAFXFQAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-4-10(9(2)7-11)14-8-13-6-5-12-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol?
3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethoxy)-2-methylpentan-1-ol is sourced from PubChem (CID 547959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).