1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane

C13H28O4 — CID 58757994

IUPAC1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane
SMILESCOCCC(CCOC)(CCOC)CCOC
InChIInChI=1S/C13H28O4/c1-14-9-5-13(6-10-15-2,7-11-16-3)8-12-17-4/h5-12H2,1-4H3
InChIKeyPSIFZEOXOWIFHW-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.12
Rot. Bonds12

About 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane

1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane (PubChem CID 58757994) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane.

Molecular Properties

Compound Name1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane
PubChem CID58757994
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane
SMILESCOCCC(CCOC)(CCOC)CCOC
InChIInChI=1S/C13H28O4/c1-14-9-5-13(6-10-15-2,7-11-16-3)8-12-17-4/h5-12H2,1-4H3
InChIKeyPSIFZEOXOWIFHW-UHFFFAOYSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane?
The IUPAC name of 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane (CID 58757994) is 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane.
What is the SMILES notation for 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane?
The canonical SMILES for 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane is COCCC(CCOC)(CCOC)CCOC.
What is the InChIKey of 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane?
The InChIKey is PSIFZEOXOWIFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-14-9-5-13(6-10-15-2,7-11-16-3)8-12-17-4/h5-12H2,1-4H3.
What are the key properties of 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane?
1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane has a molecular weight of 248.36 g/mol, XLogP of 2.12, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3,3-bis(2-methoxyethyl)pentane is sourced from PubChem (CID 58757994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).