ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane

C26H44O3 — CID 145426197

IUPACethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane
SMILESCC.CC.CC.CCc1cc2ccccc2cc1[C@@H]1OC(COC)C(OC)C1C
InChIInChI=1S/C20H26O3.3C2H6/c1-5-14-10-15-8-6-7-9-16(15)11-17(14)19-13(2)20(22-4)18(23-19)12-21-3;3*1-2/h6-11,13,18-20H,5,12H2,1-4H3;3*1-2H3/t13?,18?,19-,20?;;;/m1.../s1
InChIKeyGAKSYWLEPLSUFI-CPHGDQIVSA-N
MW404.64 g/mol
LogP7.22
Rot. Bonds5

About ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane

ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane (PubChem CID 145426197) has the molecular formula C26H44O3 and a molecular weight of 404.64 g/mol. Its IUPAC name is ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane.

Molecular Properties

Compound Nameethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane
PubChem CID145426197
Molecular FormulaC26H44O3
Molecular Weight404.64 g/mol
Exact Mass404.33
IUPAC Nameethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane
SMILESCC.CC.CC.CCc1cc2ccccc2cc1[C@@H]1OC(COC)C(OC)C1C
InChIInChI=1S/C20H26O3.3C2H6/c1-5-14-10-15-8-6-7-9-16(15)11-17(14)19-13(2)20(22-4)18(23-19)12-21-3;3*1-2/h6-11,13,18-20H,5,12H2,1-4H3;3*1-2H3/t13?,18?,19-,20?;;;/m1.../s1
InChIKeyGAKSYWLEPLSUFI-CPHGDQIVSA-N
XLogP7.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane?
The IUPAC name of ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane (CID 145426197) is ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane.
What is the SMILES notation for ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane?
The canonical SMILES for ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane is CC.CC.CC.CCc1cc2ccccc2cc1[C@@H]1OC(COC)C(OC)C1C.
What is the InChIKey of ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane?
The InChIKey is GAKSYWLEPLSUFI-CPHGDQIVSA-N. The full InChI is InChI=1S/C20H26O3.3C2H6/c1-5-14-10-15-8-6-7-9-16(15)11-17(14)19-13(2)20(22-4)18(23-19)12-21-3;3*1-2/h6-11,13,18-20H,5,12H2,1-4H3;3*1-2H3/t13?,18?,19-,20?;;;/m1.../s1.
What are the key properties of ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane?
ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane has a molecular weight of 404.64 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane is sourced from PubChem (CID 145426197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).