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

C14H28O4 — CID 21039938

IUPAC6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol
SMILESCCC1OC(C)(COC)C(C)(O)C(C)(C)C1(C)O
InChIInChI=1S/C14H28O4/c1-8-10-13(5,15)11(2,3)14(6,16)12(4,18-10)9-17-7/h10,15-16H,8-9H2,1-7H3
InChIKeyBFZKEUXRVWHHMU-UHFFFAOYSA-N
MW260.37 g/mol
LogP1.73
Rot. Bonds3

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

6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol (PubChem CID 21039938) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol.

Molecular Properties

Compound Name6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol
PubChem CID21039938
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol
SMILESCCC1OC(C)(COC)C(C)(O)C(C)(C)C1(C)O
InChIInChI=1S/C14H28O4/c1-8-10-13(5,15)11(2,3)14(6,16)12(4,18-10)9-17-7/h10,15-16H,8-9H2,1-7H3
InChIKeyBFZKEUXRVWHHMU-UHFFFAOYSA-N
XLogP1.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol?
The IUPAC name of 6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol (CID 21039938) is 6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol.
What is the SMILES notation for 6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol?
The canonical SMILES for 6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol is CCC1OC(C)(COC)C(C)(O)C(C)(C)C1(C)O.
What is the InChIKey of 6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol?
The InChIKey is BFZKEUXRVWHHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-8-10-13(5,15)11(2,3)14(6,16)12(4,18-10)9-17-7/h10,15-16H,8-9H2,1-7H3.
What are the key properties of 6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol?
6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol has a molecular weight of 260.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(methoxymethyl)-2,3,4,4,5-pentamethyloxane-3,5-diol is sourced from PubChem (CID 21039938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).