2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol

C11H22O3 — CID 15409472

IUPAC2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol
SMILESCOC(CO)C1(C)CCCC(C)(C)O1
InChIInChI=1S/C11H22O3/c1-10(2)6-5-7-11(3,14-10)9(8-12)13-4/h9,12H,5-8H2,1-4H3
InChIKeyHSELUQOVPZRCJE-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.73
Rot. Bonds3

About 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol

2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol (PubChem CID 15409472) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol.

Molecular Properties

Compound Name2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol
PubChem CID15409472
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol
SMILESCOC(CO)C1(C)CCCC(C)(C)O1
InChIInChI=1S/C11H22O3/c1-10(2)6-5-7-11(3,14-10)9(8-12)13-4/h9,12H,5-8H2,1-4H3
InChIKeyHSELUQOVPZRCJE-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol?
The IUPAC name of 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol (CID 15409472) is 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol.
What is the SMILES notation for 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol?
The canonical SMILES for 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol is COC(CO)C1(C)CCCC(C)(C)O1.
What is the InChIKey of 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol?
The InChIKey is HSELUQOVPZRCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2)6-5-7-11(3,14-10)9(8-12)13-4/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol?
2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol has a molecular weight of 202.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2,6,6-trimethyloxan-2-yl)ethanol is sourced from PubChem (CID 15409472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).