1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane

C27H66O9 — CID 160976114

IUPAC1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane
SMILESCCCCCOC.CCCCOC.CCCOC.COCCCOC.COCCOC.COCOC
InChIInChI=1S/C6H14O.C5H12O2.C5H12O.C4H10O2.C4H10O.C3H8O2/c1-3-4-5-6-7-2;1-6-4-3-5-7-2;1-3-4-5-6-2;1-5-3-4-6-2;1-3-4-5-2;1-4-3-5-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeySYWRWNVMRCHXIO-UHFFFAOYSA-N
MW534.82 g/mol
LogP5.48
Rot. Bonds18

About 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane

1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane (PubChem CID 160976114) has the molecular formula C27H66O9 and a molecular weight of 534.82 g/mol. Its IUPAC name is 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane.

Molecular Properties

Compound Name1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane
PubChem CID160976114
Molecular FormulaC27H66O9
Molecular Weight534.82 g/mol
Exact Mass534.47
IUPAC Name1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane
SMILESCCCCCOC.CCCCOC.CCCOC.COCCCOC.COCCOC.COCOC
InChIInChI=1S/C6H14O.C5H12O2.C5H12O.C4H10O2.C4H10O.C3H8O2/c1-3-4-5-6-7-2;1-6-4-3-5-7-2;1-3-4-5-6-2;1-5-3-4-6-2;1-3-4-5-2;1-4-3-5-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeySYWRWNVMRCHXIO-UHFFFAOYSA-N
XLogP5.48
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.82
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane?
The IUPAC name of 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane (CID 160976114) is 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane.
What is the SMILES notation for 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane?
The canonical SMILES for 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane is CCCCCOC.CCCCOC.CCCOC.COCCCOC.COCCOC.COCOC.
What is the InChIKey of 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane?
The InChIKey is SYWRWNVMRCHXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C5H12O2.C5H12O.C4H10O2.C4H10O.C3H8O2/c1-3-4-5-6-7-2;1-6-4-3-5-7-2;1-3-4-5-6-2;1-5-3-4-6-2;1-3-4-5-2;1-4-3-5-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane?
1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane has a molecular weight of 534.82 g/mol, XLogP of 5.48, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane is sourced from PubChem (CID 160976114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).