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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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).