3-(2-methoxyethyl)-3-methylhexan-2-ol

C10H22O2 — CID 20501754

IUPAC3-(2-methoxyethyl)-3-methylhexan-2-ol
SMILESCCCC(C)(CCOC)C(C)O
InChIInChI=1S/C10H22O2/c1-5-6-10(3,9(2)11)7-8-12-4/h9,11H,5-8H2,1-4H3
InChIKeyMYEUWEJECJKCIR-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds6

About 3-(2-methoxyethyl)-3-methylhexan-2-ol

3-(2-methoxyethyl)-3-methylhexan-2-ol (PubChem CID 20501754) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name3-(2-methoxyethyl)-3-methylhexan-2-ol
PubChem CID20501754
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3-(2-methoxyethyl)-3-methylhexan-2-ol
SMILESCCCC(C)(CCOC)C(C)O
InChIInChI=1S/C10H22O2/c1-5-6-10(3,9(2)11)7-8-12-4/h9,11H,5-8H2,1-4H3
InChIKeyMYEUWEJECJKCIR-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-3-methylhexan-2-ol?
The IUPAC name of 3-(2-methoxyethyl)-3-methylhexan-2-ol (CID 20501754) is 3-(2-methoxyethyl)-3-methylhexan-2-ol.
What is the SMILES notation for 3-(2-methoxyethyl)-3-methylhexan-2-ol?
The canonical SMILES for 3-(2-methoxyethyl)-3-methylhexan-2-ol is CCCC(C)(CCOC)C(C)O.
What is the InChIKey of 3-(2-methoxyethyl)-3-methylhexan-2-ol?
The InChIKey is MYEUWEJECJKCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-6-10(3,9(2)11)7-8-12-4/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-3-methylhexan-2-ol?
3-(2-methoxyethyl)-3-methylhexan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-3-methylhexan-2-ol is sourced from PubChem (CID 20501754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).