(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane

C16H22O3 — CID 102188861

IUPAC(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane
SMILESC=C[C@H]1OC(OC)C(C)(C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H22O3/c1-5-13-14(16(2,3)15(17-4)19-13)18-11-12-9-7-6-8-10-12/h5-10,13-15H,1,11H2,2-4H3/t13-,14-,15?/m1/s1
InChIKeyBIEBOYBUPKZWBZ-GRKKQISMSA-N
MW262.35 g/mol
LogP3.16
Rot. Bonds5

About (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane

(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane (PubChem CID 102188861) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane.

Molecular Properties

Compound Name(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane
PubChem CID102188861
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane
SMILESC=C[C@H]1OC(OC)C(C)(C)[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H22O3/c1-5-13-14(16(2,3)15(17-4)19-13)18-11-12-9-7-6-8-10-12/h5-10,13-15H,1,11H2,2-4H3/t13-,14-,15?/m1/s1
InChIKeyBIEBOYBUPKZWBZ-GRKKQISMSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 14216835
(2S,3R,4S,5S)-5-methoxy-4-methyl-4-[(E)-pent-2-en-2-yl]-3-phenylmethoxyoxolane-2-carbaldehyde
CID 10313821
(1S,3S,4R)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol
CID 102188862
benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate
CID 170293619
(2S,3S,4R,5R,6R)-2-ethenyl-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 25169660
(2R,3R)-2-ethenyl-5-methoxy-3-(phenylmethoxymethyl)oxolane
CID 10944791
(3aR,4S,6R,6aS)-4-ethenyl-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 134852419
(2S,4S,6S)-6-ethenyl-2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,3-dimethyloxane
CID 11974076
(3R,4R,5R,6S)-6-ethenyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 100977031
[(1S,3S,4S)-4-ethenyl-2,2-dimethyl-3-phenylmethoxycyclobutyl] prop-2-enoate
CID 23584522
(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol
CID 155013546
(3R,4R,5R)-3-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methoxy-3-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 70964490

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane?
The IUPAC name of (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane (CID 102188861) is (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane.
What is the SMILES notation for (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane?
The canonical SMILES for (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane is C=C[C@H]1OC(OC)C(C)(C)[C@@H]1OCc1ccccc1.
What is the InChIKey of (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane?
The InChIKey is BIEBOYBUPKZWBZ-GRKKQISMSA-N. The full InChI is InChI=1S/C16H22O3/c1-5-13-14(16(2,3)15(17-4)19-13)18-11-12-9-7-6-8-10-12/h5-10,13-15H,1,11H2,2-4H3/t13-,14-,15?/m1/s1.
What are the key properties of (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane?
(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane has a molecular weight of 262.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane is sourced from PubChem (CID 102188861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).