1,2,3,4,5-pentamethoxypentane

C10H22O5 — CID 529415

IUPAC1,2,3,4,5-pentamethoxypentane
SMILESCOCC(OC)C(OC)C(COC)OC
InChIInChI=1S/C10H22O5/c1-11-6-8(13-3)10(15-5)9(14-4)7-12-2/h8-10H,6-7H2,1-5H3
InChIKeyUKACKIRJWDAFEZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.32
Rot. Bonds9

About 1,2,3,4,5-pentamethoxypentane

1,2,3,4,5-pentamethoxypentane (PubChem CID 529415) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethoxypentane.

Molecular Properties

Compound Name1,2,3,4,5-pentamethoxypentane
PubChem CID529415
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name1,2,3,4,5-pentamethoxypentane
SMILESCOCC(OC)C(OC)C(COC)OC
InChIInChI=1S/C10H22O5/c1-11-6-8(13-3)10(15-5)9(14-4)7-12-2/h8-10H,6-7H2,1-5H3
InChIKeyUKACKIRJWDAFEZ-UHFFFAOYSA-N
XLogP0.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethoxypentane?
The IUPAC name of 1,2,3,4,5-pentamethoxypentane (CID 529415) is 1,2,3,4,5-pentamethoxypentane.
What is the SMILES notation for 1,2,3,4,5-pentamethoxypentane?
The canonical SMILES for 1,2,3,4,5-pentamethoxypentane is COCC(OC)C(OC)C(COC)OC.
What is the InChIKey of 1,2,3,4,5-pentamethoxypentane?
The InChIKey is UKACKIRJWDAFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-11-6-8(13-3)10(15-5)9(14-4)7-12-2/h8-10H,6-7H2,1-5H3.
What are the key properties of 1,2,3,4,5-pentamethoxypentane?
1,2,3,4,5-pentamethoxypentane has a molecular weight of 222.28 g/mol, XLogP of 0.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethoxypentane is sourced from PubChem (CID 529415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).