bis(1-methoxypropyl) carbonate

C9H18O5 — CID 18999246

IUPACbis(1-methoxypropyl) carbonate
SMILESCCC(OC)OC(=O)OC(CC)OC
InChIInChI=1S/C9H18O5/c1-5-7(11-3)13-9(10)14-8(6-2)12-4/h7-8H,5-6H2,1-4H3
InChIKeyGEXUDTZUOJAPAF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.90
Rot. Bonds6

About bis(1-methoxypropyl) carbonate

bis(1-methoxypropyl) carbonate (PubChem CID 18999246) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is bis(1-methoxypropyl) carbonate.

Molecular Properties

Compound Namebis(1-methoxypropyl) carbonate
PubChem CID18999246
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Namebis(1-methoxypropyl) carbonate
SMILESCCC(OC)OC(=O)OC(CC)OC
InChIInChI=1S/C9H18O5/c1-5-7(11-3)13-9(10)14-8(6-2)12-4/h7-8H,5-6H2,1-4H3
InChIKeyGEXUDTZUOJAPAF-UHFFFAOYSA-N
XLogP1.90
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-methoxypropyl) carbonate?
The IUPAC name of bis(1-methoxypropyl) carbonate (CID 18999246) is bis(1-methoxypropyl) carbonate.
What is the SMILES notation for bis(1-methoxypropyl) carbonate?
The canonical SMILES for bis(1-methoxypropyl) carbonate is CCC(OC)OC(=O)OC(CC)OC.
What is the InChIKey of bis(1-methoxypropyl) carbonate?
The InChIKey is GEXUDTZUOJAPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-5-7(11-3)13-9(10)14-8(6-2)12-4/h7-8H,5-6H2,1-4H3.
What are the key properties of bis(1-methoxypropyl) carbonate?
bis(1-methoxypropyl) carbonate has a molecular weight of 206.24 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxypropyl) carbonate is sourced from PubChem (CID 18999246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).