ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane

C22H34O4 — CID 171823736

IUPACethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane
SMILESCC.CC.COCC1OC(c2cc3ccccc3cc2OC)CC1OC
InChIInChI=1S/C18H22O4.2C2H6/c1-19-11-18-17(21-3)10-16(22-18)14-8-12-6-4-5-7-13(12)9-15(14)20-2;2*1-2/h4-9,16-18H,10-11H2,1-3H3;2*1-2H3
InChIKeyIKWSTHVSCSTEOD-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.39
Rot. Bonds5

About ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane

ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane (PubChem CID 171823736) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane.

Molecular Properties

Compound Nameethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane
PubChem CID171823736
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Nameethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane
SMILESCC.CC.COCC1OC(c2cc3ccccc3cc2OC)CC1OC
InChIInChI=1S/C18H22O4.2C2H6/c1-19-11-18-17(21-3)10-16(22-18)14-8-12-6-4-5-7-13(12)9-15(14)20-2;2*1-2/h4-9,16-18H,10-11H2,1-3H3;2*1-2H3
InChIKeyIKWSTHVSCSTEOD-UHFFFAOYSA-N
XLogP5.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,5R)-5-(3-methoxynaphthalen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]oxolane
CID 155652812
dihydroxyphosphanyl [hydroxy-[[3-hydroxy-5-(3-methoxynaphthalen-2-yl)oxolan-2-yl]methoxy]phosphanyl] hydrogen phosphite
CID 167017678
ethane;(2R)-2-(3-ethylnaphthalen-2-yl)-4-methoxy-5-(methoxymethyl)-3-methyloxolane
CID 145426197
5-[4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]-6-hydroxybenzo[a]anthracene-7,12-dione
CID 102502794
5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]-6-hydroxybenzo[a]anthracene-7,12-dione
CID 72711768
bromomethyl-[5-[(2R,4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]furan-2-yl]-dimethylsilane
CID 101261985
(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane
CID 163887966
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
(2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane
CID 101261998
bis(2-(methoxymethyl)oxirane);naphthalene
CID 90795590
[4,5-dimethoxy-6-(methoxymethyl)oxan-2-yl]-triphenylphosphanium tetrafluoroborate
CID 90660915
CID 90433687
CID 90433687

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane?
The IUPAC name of ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane (CID 171823736) is ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane.
What is the SMILES notation for ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane?
The canonical SMILES for ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane is CC.CC.COCC1OC(c2cc3ccccc3cc2OC)CC1OC.
What is the InChIKey of ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane?
The InChIKey is IKWSTHVSCSTEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4.2C2H6/c1-19-11-18-17(21-3)10-16(22-18)14-8-12-6-4-5-7-13(12)9-15(14)20-2;2*1-2/h4-9,16-18H,10-11H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane?
ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane has a molecular weight of 362.51 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-2-(methoxymethyl)-5-(3-methoxynaphthalen-2-yl)oxolane is sourced from PubChem (CID 171823736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).