(2S,4R)-1,2,3,4,5-pentamethoxypentane

C10H22O5 — CID 90120509

IUPAC(2S,4R)-1,2,3,4,5-pentamethoxypentane
SMILESCOC[C@H](OC)C(OC)[C@@H](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/t8-,9+,10?
InChIKeyUKACKIRJWDAFEZ-ULKQDVFKSA-N
MW222.28 g/mol
LogP0.32
Rot. Bonds9

About (2S,4R)-1,2,3,4,5-pentamethoxypentane

(2S,4R)-1,2,3,4,5-pentamethoxypentane (PubChem CID 90120509) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2S,4R)-1,2,3,4,5-pentamethoxypentane.

Molecular Properties

Compound Name(2S,4R)-1,2,3,4,5-pentamethoxypentane
PubChem CID90120509
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name(2S,4R)-1,2,3,4,5-pentamethoxypentane
SMILESCOC[C@H](OC)C(OC)[C@@H](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/t8-,9+,10?
InChIKeyUKACKIRJWDAFEZ-ULKQDVFKSA-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

Analyze (2S,4R)-1,2,3,4,5-pentamethoxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1,2,3,4,5-pentamethoxypentane?
The IUPAC name of (2S,4R)-1,2,3,4,5-pentamethoxypentane (CID 90120509) is (2S,4R)-1,2,3,4,5-pentamethoxypentane.
What is the SMILES notation for (2S,4R)-1,2,3,4,5-pentamethoxypentane?
The canonical SMILES for (2S,4R)-1,2,3,4,5-pentamethoxypentane is COC[C@H](OC)C(OC)[C@@H](COC)OC.
What is the InChIKey of (2S,4R)-1,2,3,4,5-pentamethoxypentane?
The InChIKey is UKACKIRJWDAFEZ-ULKQDVFKSA-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/t8-,9+,10?.
What are the key properties of (2S,4R)-1,2,3,4,5-pentamethoxypentane?
(2S,4R)-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 (2S,4R)-1,2,3,4,5-pentamethoxypentane is sourced from PubChem (CID 90120509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).