(2,5-diethoxyoxolan-2-yl)methanol

C9H18O4 — CID 150634003

IUPAC(2,5-diethoxyoxolan-2-yl)methanol
SMILESCCOC1CCC(CO)(OCC)O1
InChIInChI=1S/C9H18O4/c1-3-11-8-5-6-9(7-10,13-8)12-4-2/h8,10H,3-7H2,1-2H3
InChIKeyIYMNTTQAEKAMOE-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.88
Rot. Bonds5

About (2,5-diethoxyoxolan-2-yl)methanol

(2,5-diethoxyoxolan-2-yl)methanol (PubChem CID 150634003) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2,5-diethoxyoxolan-2-yl)methanol.

Molecular Properties

Compound Name(2,5-diethoxyoxolan-2-yl)methanol
PubChem CID150634003
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2,5-diethoxyoxolan-2-yl)methanol
SMILESCCOC1CCC(CO)(OCC)O1
InChIInChI=1S/C9H18O4/c1-3-11-8-5-6-9(7-10,13-8)12-4-2/h8,10H,3-7H2,1-2H3
InChIKeyIYMNTTQAEKAMOE-UHFFFAOYSA-N
XLogP0.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-oxaspiro[4.4]nonane
CID 549196
2-ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101146425
2,2,3,3,5-pentaethoxy-1,4-dioxane
CID 150418593
(2-ethoxy-6-methyl-3,4-dihydropyran-2-yl)methanol
CID 130124569
(2R,5S)-5-ethoxy-2-(3-methylbutyl)-2-phenyloxolane
CID 102265490
4-ethoxyoxane-4-carboxylic acid
CID 78969464
ethane;4-ethoxy-4-methyloxane
CID 143599120
(1-ethoxy-4-propylcyclohexyl)methanol
CID 165489983
(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
CID 54321691
(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300110
(1S,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300107
2-ethoxyoxolane;oxolan-2-ylmethanol
CID 160542333

Frequently Asked Questions

What is the IUPAC name of (2,5-diethoxyoxolan-2-yl)methanol?
The IUPAC name of (2,5-diethoxyoxolan-2-yl)methanol (CID 150634003) is (2,5-diethoxyoxolan-2-yl)methanol.
What is the SMILES notation for (2,5-diethoxyoxolan-2-yl)methanol?
The canonical SMILES for (2,5-diethoxyoxolan-2-yl)methanol is CCOC1CCC(CO)(OCC)O1.
What is the InChIKey of (2,5-diethoxyoxolan-2-yl)methanol?
The InChIKey is IYMNTTQAEKAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-11-8-5-6-9(7-10,13-8)12-4-2/h8,10H,3-7H2,1-2H3.
What are the key properties of (2,5-diethoxyoxolan-2-yl)methanol?
(2,5-diethoxyoxolan-2-yl)methanol has a molecular weight of 190.24 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethoxyoxolan-2-yl)methanol is sourced from PubChem (CID 150634003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).