2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane

C21H24O4 — CID 154734225

IUPAC2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
SMILESC=C1C(OC)OC(COCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H24O4/c1-16-20(24-14-18-11-7-4-8-12-18)19(25-21(16)22-2)15-23-13-17-9-5-3-6-10-17/h3-12,19-21H,1,13-15H2,2H3
InChIKeyUTXHTKVHDZPAPN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.72
Rot. Bonds8

About 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane

2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane (PubChem CID 154734225) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
PubChem CID154734225
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
SMILESC=C1C(OC)OC(COCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C21H24O4/c1-16-20(24-14-18-11-7-4-8-12-18)19(25-21(16)22-2)15-23-13-17-9-5-3-6-10-17/h3-12,19-21H,1,13-15H2,2H3
InChIKeyUTXHTKVHDZPAPN-UHFFFAOYSA-N
XLogP3.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,4R,5R,6R)-2-hydroperoxy-3-methylidene-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11733269
(4R,5R,6R)-2-(4-methoxyphenoxy)-3-methylidene-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 102169011
(2S,4R,5R,6R)-2-(2,2-dimethoxyethoxy)-3-methylidene-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 102479657
(2S,4R,5R,6R)-3-methylidene-2-(oxiran-2-ylmethoxy)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25108433
(2R,3R,4R,6S)-5-methylidene-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-ynoxyoxane
CID 102479656
(2R,3S,6S)-4-methylidene-6-phenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane
CID 146166198
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,4R,5S,6R)-3-methylidene-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101445116
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane?
The IUPAC name of 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane (CID 154734225) is 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane?
The canonical SMILES for 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane is C=C1C(OC)OC(COCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane?
The InChIKey is UTXHTKVHDZPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-16-20(24-14-18-11-7-4-8-12-18)19(25-21(16)22-2)15-23-13-17-9-5-3-6-10-17/h3-12,19-21H,1,13-15H2,2H3.
What are the key properties of 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane?
2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane has a molecular weight of 340.42 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 154734225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).