12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane

C15H28O5 — CID 20665929

IUPAC12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane
SMILESCOCC1OC2COCCCCCC1C(OC)C2OC
InChIInChI=1S/C15H28O5/c1-16-9-12-11-7-5-4-6-8-19-10-13(20-12)15(18-3)14(11)17-2/h11-15H,4-10H2,1-3H3
InChIKeyKBSQRCODNWURSF-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.64
Rot. Bonds4

About 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane

12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane (PubChem CID 20665929) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane.

Molecular Properties

Compound Name12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane
PubChem CID20665929
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane
SMILESCOCC1OC2COCCCCCC1C(OC)C2OC
InChIInChI=1S/C15H28O5/c1-16-9-12-11-7-5-4-6-8-19-10-13(20-12)15(18-3)14(11)17-2/h11-15H,4-10H2,1-3H3
InChIKeyKBSQRCODNWURSF-UHFFFAOYSA-N
XLogP1.64
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5:6,7-Dianhydro-2,3,4-trideoxy-2-oxiran-2-ylheptitol
CID 217635
2-(Hydroxymethyl)-6-(2-methylpropyl)oxane-3,4,5-triol
CID 58743772
6-Fluoro-3,4,5-trimethoxy-2-(1-methoxyethyl)-2,3,4,5-tetramethyloxane
CID 90441541
(2R,3S,4S,5R,6R)-3,4,5-tributoxy-2-(butoxymethyl)-6-(1,1-difluoro-2-methylpropyl)oxane
CID 118053806
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3-hydroxypropyl)oxane-3,4-diol
CID 156818500
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-ol
CID 103027639
4-Methoxy-1-(4-methoxyoxan-4-yl)-4-methylpentan-1-ol
CID 103035586
3,4-Dimethoxy-2-(2-methoxypropan-2-yl)-6-methyloxane
CID 134854835
(4S,5R,6R)-4-[(2S)-3-methoxy-4-(2-methoxypropan-2-yloxy)butan-2-yl]-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxane
CID 134878393
2-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol
CID 134905690
2-[(2S,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]propan-2-ol
CID 134975572
4-Methyl-2-(3-methyloxiran-2-yl)oxane
CID 138963035

Frequently Asked Questions

What is the IUPAC name of 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane?
The IUPAC name of 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane (CID 20665929) is 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane.
What is the SMILES notation for 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane?
The canonical SMILES for 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane is COCC1OC2COCCCCCC1C(OC)C2OC.
What is the InChIKey of 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane?
The InChIKey is KBSQRCODNWURSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c1-16-9-12-11-7-5-4-6-8-19-10-13(20-12)15(18-3)14(11)17-2/h11-15H,4-10H2,1-3H3.
What are the key properties of 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane?
12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane has a molecular weight of 288.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,13-dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane is sourced from PubChem (CID 20665929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).