2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane

C18H34O9 — CID 90331763

IUPAC2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane
SMILESCCCC1OC1(OC)C(OC)(OC)OC(OC)(OC)C1(OC)OC1CCC
InChIInChI=1S/C18H34O9/c1-9-11-13-15(19-3,25-13)17(21-5,22-6)27-18(23-7,24-8)16(20-4)14(26-16)12-10-2/h13-14H,9-12H2,1-8H3
InChIKeyTXONLRYTRVEWTD-UHFFFAOYSA-N
MW394.46 g/mol
LogP1.98
Rot. Bonds14

About 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane

2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane (PubChem CID 90331763) has the molecular formula C18H34O9 and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane.

Molecular Properties

Compound Name2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane
PubChem CID90331763
Molecular FormulaC18H34O9
Molecular Weight394.46 g/mol
Exact Mass394.22
IUPAC Name2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane
SMILESCCCC1OC1(OC)C(OC)(OC)OC(OC)(OC)C1(OC)OC1CCC
InChIInChI=1S/C18H34O9/c1-9-11-13-15(19-3,25-13)17(21-5,22-6)27-18(23-7,24-8)16(20-4)14(26-16)12-10-2/h13-14H,9-12H2,1-8H3
InChIKeyTXONLRYTRVEWTD-UHFFFAOYSA-N
XLogP1.98
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane?
The IUPAC name of 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane (CID 90331763) is 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane.
What is the SMILES notation for 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane?
The canonical SMILES for 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane is CCCC1OC1(OC)C(OC)(OC)OC(OC)(OC)C1(OC)OC1CCC.
What is the InChIKey of 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane?
The InChIKey is TXONLRYTRVEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O9/c1-9-11-13-15(19-3,25-13)17(21-5,22-6)27-18(23-7,24-8)16(20-4)14(26-16)12-10-2/h13-14H,9-12H2,1-8H3.
What are the key properties of 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane?
2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane has a molecular weight of 394.46 g/mol, XLogP of 1.98, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethoxy-(2-methoxy-3-propyloxiran-2-yl)methoxy]-dimethoxymethyl]-2-methoxy-3-propyloxirane is sourced from PubChem (CID 90331763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).