4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol

C20H40O5 — CID 58675427

IUPAC4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol
SMILESCCCCCCCC(CCOC1C(C)C(C)OC(COC)C1O)OC
InChIInChI=1S/C20H40O5/c1-6-7-8-9-10-11-17(23-5)12-13-24-20-15(2)16(3)25-18(14-22-4)19(20)21/h15-21H,6-14H2,1-5H3
InChIKeyCVIIJHZUZDHHKS-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.57
Rot. Bonds13

About 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol

4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol (PubChem CID 58675427) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol.

Molecular Properties

Compound Name4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol
PubChem CID58675427
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Name4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol
SMILESCCCCCCCC(CCOC1C(C)C(C)OC(COC)C1O)OC
InChIInChI=1S/C20H40O5/c1-6-7-8-9-10-11-17(23-5)12-13-24-20-15(2)16(3)25-18(14-22-4)19(20)21/h15-21H,6-14H2,1-5H3
InChIKeyCVIIJHZUZDHHKS-UHFFFAOYSA-N
XLogP3.57
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol?
The IUPAC name of 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol (CID 58675427) is 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol.
What is the SMILES notation for 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol?
The canonical SMILES for 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol is CCCCCCCC(CCOC1C(C)C(C)OC(COC)C1O)OC.
What is the InChIKey of 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol?
The InChIKey is CVIIJHZUZDHHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5/c1-6-7-8-9-10-11-17(23-5)12-13-24-20-15(2)16(3)25-18(14-22-4)19(20)21/h15-21H,6-14H2,1-5H3.
What are the key properties of 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol?
4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol has a molecular weight of 360.54 g/mol, XLogP of 3.57, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol is sourced from PubChem (CID 58675427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).