1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane

C18H40O7 — CID 90787039

IUPAC1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane
SMILESCOCCC(CCOC)COC.COCCOCCCOCCOC
InChIInChI=1S/C9H20O4.C9H20O3/c1-10-6-8-12-4-3-5-13-9-7-11-2;1-10-6-4-9(8-12-3)5-7-11-2/h3-9H2,1-2H3;9H,4-8H2,1-3H3
InChIKeyLFQNTLNRNDGBBX-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.02
Rot. Bonds18

About 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane

1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane (PubChem CID 90787039) has the molecular formula C18H40O7 and a molecular weight of 368.51 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane.

Molecular Properties

Compound Name1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane
PubChem CID90787039
Molecular FormulaC18H40O7
Molecular Weight368.51 g/mol
Exact Mass368.28
IUPAC Name1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane
SMILESCOCCC(CCOC)COC.COCCOCCCOCCOC
InChIInChI=1S/C9H20O4.C9H20O3/c1-10-6-8-12-4-3-5-13-9-7-11-2;1-10-6-4-9(8-12-3)5-7-11-2/h3-9H2,1-2H3;9H,4-8H2,1-3H3
InChIKeyLFQNTLNRNDGBBX-UHFFFAOYSA-N
XLogP2.02
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4,7,10,13,16-Hexaoxanonadecane, 18-propyl-
CID 542436
3,3'-Methylenbis(1,5,8,11-tetraoxacyclotridecane)
CID 560722
3,3'-Isopropylidenebis(1,5,8,11-tetraoxacyclotridecane)
CID 560723
4,7,13,16,21,24-Hexaoxabicyclo[8.8.8]hexacosane
CID 15241470
1-[2-(2-Ethoxyethoxy)ethoxy]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
CID 19877939
1-[2-[2-(2-Ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
CID 19978673
1-(2-Ethoxyethoxy)-5-(4-propoxybutoxy)pentane
CID 54336759
6,13-Bis(2-methylpropyl)-1,4,8,11-tetraoxacyclotetradecane
CID 57895196
1,5-Dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
4,7,13,16,21-Pentaoxabicyclo[8.8.5]tricosane
CID 58704531
7,7,16,16-Tetramethyl-1,4,10,13-tetraoxacyclooctadecane
CID 59046060
1,5-Bis(2-methoxyethoxy)-3-(2-methoxyethoxymethyl)pentane
CID 59118349

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane?
The IUPAC name of 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane (CID 90787039) is 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane.
What is the SMILES notation for 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane?
The canonical SMILES for 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane is COCCC(CCOC)COC.COCCOCCCOCCOC.
What is the InChIKey of 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane?
The InChIKey is LFQNTLNRNDGBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C9H20O3/c1-10-6-8-12-4-3-5-13-9-7-11-2;1-10-6-4-9(8-12-3)5-7-11-2/h3-9H2,1-2H3;9H,4-8H2,1-3H3.
What are the key properties of 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane?
1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane has a molecular weight of 368.51 g/mol, XLogP of 2.02, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane is sourced from PubChem (CID 90787039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).