3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane

C15H28O9 — CID 73196468

IUPAC3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane
SMILESC=C1OC(COCOC)C(OCOC)C(OCOC)C1OCOC
InChIInChI=1S/C15H28O9/c1-11-13(21-8-17-3)15(23-10-19-5)14(22-9-18-4)12(24-11)6-20-7-16-2/h12-15H,1,6-10H2,2-5H3
InChIKeyCPQQFRPRMKVTHZ-UHFFFAOYSA-N
MW352.38 g/mol
LogP0.49
Rot. Bonds13

About 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane

3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane (PubChem CID 73196468) has the molecular formula C15H28O9 and a molecular weight of 352.38 g/mol. Its IUPAC name is 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane.

Molecular Properties

Compound Name3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane
PubChem CID73196468
Molecular FormulaC15H28O9
Molecular Weight352.38 g/mol
Exact Mass352.17
IUPAC Name3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane
SMILESC=C1OC(COCOC)C(OCOC)C(OCOC)C1OCOC
InChIInChI=1S/C15H28O9/c1-11-13(21-8-17-3)15(23-10-19-5)14(22-9-18-4)12(24-11)6-20-7-16-2/h12-15H,1,6-10H2,2-5H3
InChIKeyCPQQFRPRMKVTHZ-UHFFFAOYSA-N
XLogP0.49
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane
CID 10247548
(2R,3R,4R,5S)-3,5-dibutoxy-2-(butoxymethyl)-4-fluoro-6-methylideneoxane
CID 67522411
2-(methoxymethoxymethyl)-3-methyloxirane
CID 88561796
2-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane
CID 88561804
(1R,6R,8S,9R,14R,16S,17S,18R,19S,20R)-17,18,19,20-tetrakis(methoxymethoxy)-8,16-bis(methoxymethoxymethyl)-7,15-dioxatricyclo[12.2.2.26,9]icosa-2,4,10,12-tetrayne
CID 134977091
(1R,4S,5S,6S)-4,5,6-tris(methoxymethoxy)-3-methylcyclohex-2-en-1-amine
CID 101155051
[(3R,4S,6R)-2-methylidene-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134883078
(2R,3S,4R)-6-methylidene-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 53391581
(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol
CID 102065732
(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane
CID 14928829
(3R,4S,5S)-3,4-bis(2-methoxyethoxymethoxy)-5-(trityloxymethyl)oxolan-2-one
CID 11649844
(3E,4S,5R)-3-ethylidene-5-(methoxymethoxymethyl)-4-methyloxolan-2-one
CID 11356099

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane?
The IUPAC name of 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane (CID 73196468) is 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane.
What is the SMILES notation for 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane?
The canonical SMILES for 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane is C=C1OC(COCOC)C(OCOC)C(OCOC)C1OCOC.
What is the InChIKey of 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane?
The InChIKey is CPQQFRPRMKVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O9/c1-11-13(21-8-17-3)15(23-10-19-5)14(22-9-18-4)12(24-11)6-20-7-16-2/h12-15H,1,6-10H2,2-5H3.
What are the key properties of 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane?
3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane has a molecular weight of 352.38 g/mol, XLogP of 0.49, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane is sourced from PubChem (CID 73196468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).