2,2-dimethoxy-3-methyloxane

C8H16O3 — CID 158123944

IUPAC2,2-dimethoxy-3-methyloxane
SMILESCOC1(OC)OCCCC1C
InChIInChI=1S/C8H16O3/c1-7-5-4-6-11-8(7,9-2)10-3/h7H,4-6H2,1-3H3
InChIKeyFRXVVKHVKRDKIE-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.38
Rot. Bonds2

About 2,2-dimethoxy-3-methyloxane

2,2-dimethoxy-3-methyloxane (PubChem CID 158123944) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2,2-dimethoxy-3-methyloxane.

Molecular Properties

Compound Name2,2-dimethoxy-3-methyloxane
PubChem CID158123944
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2,2-dimethoxy-3-methyloxane
SMILESCOC1(OC)OCCCC1C
InChIInChI=1S/C8H16O3/c1-7-5-4-6-11-8(7,9-2)10-3/h7H,4-6H2,1-3H3
InChIKeyFRXVVKHVKRDKIE-UHFFFAOYSA-N
XLogP1.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.38
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

(2,3-dimethyloxan-2-yl)-methylsilane
CID 175188594
2-cyclopropyl-2-methoxyoxolane
CID 158451522
(2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran
CID 102151164
2,2-dimethoxy-4-methyloxane
CID 13134669
(1,2,2,3,3,4-hexamethylcyclononyl)-methoxy-dimethylsilane
CID 141217403
dimethyl 2-methoxyoxane-2,3-dicarboxylate
CID 156770328
(4aR,7R,7aR)-7a-methoxy-3,4,4a,7-tetrahydro-2H-cyclopenta[b]pyran-7-carbonitrile
CID 139121015
(3R)-4-methyl-1-azaspiro[2.6]nonane
CID 121388588
1,1,2,8-tetramethylcyclononane
CID 123968014
2,2-dimethoxy-3,5-dimethyl-3,4-dihydropyran
CID 12679185
1-methoxy-2-methylcyclohexane-1-carbaldehyde
CID 130743446
2-methoxy-2-(2-methylcyclohexyl)oxirane
CID 147104462

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-3-methyloxane?
The IUPAC name of 2,2-dimethoxy-3-methyloxane (CID 158123944) is 2,2-dimethoxy-3-methyloxane.
What is the SMILES notation for 2,2-dimethoxy-3-methyloxane?
The canonical SMILES for 2,2-dimethoxy-3-methyloxane is COC1(OC)OCCCC1C.
What is the InChIKey of 2,2-dimethoxy-3-methyloxane?
The InChIKey is FRXVVKHVKRDKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-7-5-4-6-11-8(7,9-2)10-3/h7H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethoxy-3-methyloxane?
2,2-dimethoxy-3-methyloxane has a molecular weight of 160.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-3-methyloxane is sourced from PubChem (CID 158123944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).