6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane

C21H24O4 — CID 20751877

IUPAC6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane
SMILESC=C1OC(OC)CC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H24O4/c1-16-21(24-15-18-11-7-4-8-12-18)19(13-20(22-2)25-16)23-14-17-9-5-3-6-10-17/h3-12,19-21H,1,13-15H2,2H3
InChIKeyLQQVVBYLNSCSJK-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.06
Rot. Bonds7

About 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane

6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane (PubChem CID 20751877) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane.

Molecular Properties

Compound Name6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane
PubChem CID20751877
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane
SMILESC=C1OC(OC)CC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H24O4/c1-16-21(24-15-18-11-7-4-8-12-18)19(13-20(22-2)25-16)23-14-17-9-5-3-6-10-17/h3-12,19-21H,1,13-15H2,2H3
InChIKeyLQQVVBYLNSCSJK-UHFFFAOYSA-N
XLogP4.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(2S,3R,4S,5S)-5-[(2-iodophenyl)methoxy]-2-methoxy-6-methylidene-3,4-bis(phenylmethoxy)oxane
CID 15331362
(2S,3R,4S,5S)-2-[(1R,2S,3S,4S,6R)-4-methoxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexyl]oxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
CID 135050697
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
(1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol
CID 11011793
(4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 138713352
(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol
CID 102276288
(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane
CID 10247548
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane?
The IUPAC name of 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane (CID 20751877) is 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane.
What is the SMILES notation for 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane?
The canonical SMILES for 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane is C=C1OC(OC)CC(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane?
The InChIKey is LQQVVBYLNSCSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-16-21(24-15-18-11-7-4-8-12-18)19(13-20(22-2)25-16)23-14-17-9-5-3-6-10-17/h3-12,19-21H,1,13-15H2,2H3.
What are the key properties of 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane?
6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane has a molecular weight of 340.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane is sourced from PubChem (CID 20751877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).