oxolan-2-yl(oxolan-3-ylmethoxy)methanol

C10H18O4 — CID 91393732

IUPACoxolan-2-yl(oxolan-3-ylmethoxy)methanol
SMILESOC(OCC1CCOC1)C1CCCO1
InChIInChI=1S/C10H18O4/c11-10(9-2-1-4-13-9)14-7-8-3-5-12-6-8/h8-11H,1-7H2
InChIKeyPCEOZKJJXVXTOY-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.54
Rot. Bonds4

About oxolan-2-yl(oxolan-3-ylmethoxy)methanol

oxolan-2-yl(oxolan-3-ylmethoxy)methanol (PubChem CID 91393732) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is oxolan-2-yl(oxolan-3-ylmethoxy)methanol.

Molecular Properties

Compound Nameoxolan-2-yl(oxolan-3-ylmethoxy)methanol
PubChem CID91393732
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameoxolan-2-yl(oxolan-3-ylmethoxy)methanol
SMILESOC(OCC1CCOC1)C1CCCO1
InChIInChI=1S/C10H18O4/c11-10(9-2-1-4-13-9)14-7-8-3-5-12-6-8/h8-11H,1-7H2
InChIKeyPCEOZKJJXVXTOY-UHFFFAOYSA-N
XLogP0.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxetan-2-yl(oxetan-2-ylmethoxy)methanol
CID 174882847
2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55092213
2-[[(3R)-oxolan-3-yl]methoxy]propanoic acid
CID 134207969
2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
CID 66472549
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
CID 114999123
1-(oxolan-3-ylmethoxy)butan-2-ol
CID 62040870
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
ethane;3-(methoxymethyl)oxolane
CID 143285946
1-(oxolan-2-yl)-2-propan-2-yloxyethanol
CID 79567883
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol
CID 65351024
ethyl 2-(oxolan-3-ylmethoxy)pentanoate
CID 83038452

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl(oxolan-3-ylmethoxy)methanol?
The IUPAC name of oxolan-2-yl(oxolan-3-ylmethoxy)methanol (CID 91393732) is oxolan-2-yl(oxolan-3-ylmethoxy)methanol.
What is the SMILES notation for oxolan-2-yl(oxolan-3-ylmethoxy)methanol?
The canonical SMILES for oxolan-2-yl(oxolan-3-ylmethoxy)methanol is OC(OCC1CCOC1)C1CCCO1.
What is the InChIKey of oxolan-2-yl(oxolan-3-ylmethoxy)methanol?
The InChIKey is PCEOZKJJXVXTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c11-10(9-2-1-4-13-9)14-7-8-3-5-12-6-8/h8-11H,1-7H2.
What are the key properties of oxolan-2-yl(oxolan-3-ylmethoxy)methanol?
oxolan-2-yl(oxolan-3-ylmethoxy)methanol has a molecular weight of 202.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl(oxolan-3-ylmethoxy)methanol is sourced from PubChem (CID 91393732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).