1,5-dimethoxy-3-(methoxymethyl)pentane

C9H20O3 — CID 58999715

IUPAC1,5-dimethoxy-3-(methoxymethyl)pentane
SMILESCOCCC(CCOC)COC
InChIInChI=1S/C9H20O3/c1-10-6-4-9(8-12-3)5-7-11-2/h9H,4-8H2,1-3H3
InChIKeyMRZXWOBACOZJGK-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.32
Rot. Bonds8

About 1,5-dimethoxy-3-(methoxymethyl)pentane

1,5-dimethoxy-3-(methoxymethyl)pentane (PubChem CID 58999715) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,5-dimethoxy-3-(methoxymethyl)pentane.

Molecular Properties

Compound Name1,5-dimethoxy-3-(methoxymethyl)pentane
PubChem CID58999715
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name1,5-dimethoxy-3-(methoxymethyl)pentane
SMILESCOCCC(CCOC)COC
InChIInChI=1S/C9H20O3/c1-10-6-4-9(8-12-3)5-7-11-2/h9H,4-8H2,1-3H3
InChIKeyMRZXWOBACOZJGK-UHFFFAOYSA-N
XLogP1.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-(methoxymethyl)pentane?
The IUPAC name of 1,5-dimethoxy-3-(methoxymethyl)pentane (CID 58999715) is 1,5-dimethoxy-3-(methoxymethyl)pentane.
What is the SMILES notation for 1,5-dimethoxy-3-(methoxymethyl)pentane?
The canonical SMILES for 1,5-dimethoxy-3-(methoxymethyl)pentane is COCCC(CCOC)COC.
What is the InChIKey of 1,5-dimethoxy-3-(methoxymethyl)pentane?
The InChIKey is MRZXWOBACOZJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-10-6-4-9(8-12-3)5-7-11-2/h9H,4-8H2,1-3H3.
What are the key properties of 1,5-dimethoxy-3-(methoxymethyl)pentane?
1,5-dimethoxy-3-(methoxymethyl)pentane has a molecular weight of 176.26 g/mol, XLogP of 1.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3-(methoxymethyl)pentane is sourced from PubChem (CID 58999715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).