6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol

C13H26O5 — CID 21039939

IUPAC6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol
SMILESCOCC1(C)OC(CO)C(C)(O)C(C)(C)C1(C)O
InChIInChI=1S/C13H26O5/c1-10(2)12(4,15)9(7-14)18-11(3,8-17-6)13(10,5)16/h9,14-16H,7-8H2,1-6H3
InChIKeyCRWCSLRHUCGOMZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.31
Rot. Bonds3

About 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol

6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol (PubChem CID 21039939) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol
PubChem CID21039939
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol
SMILESCOCC1(C)OC(CO)C(C)(O)C(C)(C)C1(C)O
InChIInChI=1S/C13H26O5/c1-10(2)12(4,15)9(7-14)18-11(3,8-17-6)13(10,5)16/h9,14-16H,7-8H2,1-6H3
InChIKeyCRWCSLRHUCGOMZ-UHFFFAOYSA-N
XLogP0.31
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol?
The IUPAC name of 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol (CID 21039939) is 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol.
What is the SMILES notation for 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol?
The canonical SMILES for 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol is COCC1(C)OC(CO)C(C)(O)C(C)(C)C1(C)O.
What is the InChIKey of 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol?
The InChIKey is CRWCSLRHUCGOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-10(2)12(4,15)9(7-14)18-11(3,8-17-6)13(10,5)16/h9,14-16H,7-8H2,1-6H3.
What are the key properties of 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol?
6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol has a molecular weight of 262.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol is sourced from PubChem (CID 21039939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).