2-(dimethoxymethyl)oxane

C8H16O3 — CID 101048405

IUPAC2-(dimethoxymethyl)oxane
SMILESCOC(OC)C1CCCCO1
InChIInChI=1S/C8H16O3/c1-9-8(10-2)7-5-3-4-6-11-7/h7-8H,3-6H2,1-2H3
InChIKeyMICKJZVYOXBGBC-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.17
Rot. Bonds3

About 2-(dimethoxymethyl)oxane

2-(dimethoxymethyl)oxane (PubChem CID 101048405) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(dimethoxymethyl)oxane.

Molecular Properties

Compound Name2-(dimethoxymethyl)oxane
PubChem CID101048405
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(dimethoxymethyl)oxane
SMILESCOC(OC)C1CCCCO1
InChIInChI=1S/C8H16O3/c1-9-8(10-2)7-5-3-4-6-11-7/h7-8H,3-6H2,1-2H3
InChIKeyMICKJZVYOXBGBC-UHFFFAOYSA-N
XLogP1.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(dimethoxymethyl)oxolane
CID 93340923
bis(oxan-2-yl)methanol
CID 173021788
6-(dimethoxymethyl)oxan-2-ol
CID 129130756
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
2-(1-fluoropropyl)oxane
CID 67686037
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
O-methyl 2-(oxan-2-yl)butanethioate
CID 141336671
(2S)-2-(methoxycarbonylamino)-2-[(2S)-oxan-2-yl]acetic acid
CID 129392106
4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 105055058
2-(dipropoxymethyl)oxolane
CID 12664780
[(1S)-1-[(2S)-oxan-2-yl]ethyl] thiocyanate
CID 139548368

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)oxane?
The IUPAC name of 2-(dimethoxymethyl)oxane (CID 101048405) is 2-(dimethoxymethyl)oxane.
What is the SMILES notation for 2-(dimethoxymethyl)oxane?
The canonical SMILES for 2-(dimethoxymethyl)oxane is COC(OC)C1CCCCO1.
What is the InChIKey of 2-(dimethoxymethyl)oxane?
The InChIKey is MICKJZVYOXBGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-9-8(10-2)7-5-3-4-6-11-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(dimethoxymethyl)oxane?
2-(dimethoxymethyl)oxane has a molecular weight of 160.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)oxane is sourced from PubChem (CID 101048405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).