6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol

C20H32O9 — CID 174797134

IUPAC6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol
SMILESCC=CCC(OCc1cc(OC)c(OC)c(OC)c1)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C20H32O9/c1-5-6-7-14(18(24)19(25)17(23)13(22)10-21)29-11-12-8-15(26-2)20(28-4)16(9-12)27-3/h5-6,8-9,13-14,17-19,21-25H,7,10-11H2,1-4H3
InChIKeyXKYPVENXYAXPQW-UHFFFAOYSA-N
MW416.47 g/mol
LogP-0.00
Rot. Bonds13

About 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol

6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol (PubChem CID 174797134) has the molecular formula C20H32O9 and a molecular weight of 416.47 g/mol. Its IUPAC name is 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol
PubChem CID174797134
Molecular FormulaC20H32O9
Molecular Weight416.47 g/mol
Exact Mass416.20
IUPAC Name6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol
SMILESCC=CCC(OCc1cc(OC)c(OC)c(OC)c1)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C20H32O9/c1-5-6-7-14(18(24)19(25)17(23)13(22)10-21)29-11-12-8-15(26-2)20(28-4)16(9-12)27-3/h5-6,8-9,13-14,17-19,21-25H,7,10-11H2,1-4H3
InChIKeyXKYPVENXYAXPQW-UHFFFAOYSA-N
XLogP-0.00
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 5-0.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol?
The IUPAC name of 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol (CID 174797134) is 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol is CC=CCC(OCc1cc(OC)c(OC)c(OC)c1)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol?
The InChIKey is XKYPVENXYAXPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O9/c1-5-6-7-14(18(24)19(25)17(23)13(22)10-21)29-11-12-8-15(26-2)20(28-4)16(9-12)27-3/h5-6,8-9,13-14,17-19,21-25H,7,10-11H2,1-4H3.
What are the key properties of 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol?
6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol has a molecular weight of 416.47 g/mol, XLogP of -0.00, 13 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4,5-trimethoxyphenyl)methoxy]dec-8-ene-1,2,3,4,5-pentol is sourced from PubChem (CID 174797134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).