(2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane

C30H32O5 — CID 11465606

IUPAC(2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
SMILESC=C[C@]1(OC)OC(=C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H32O5/c1-4-30(31-3)29(34-22-26-18-12-7-13-19-26)28(33-21-25-16-10-6-11-17-25)27(23(2)35-30)32-20-24-14-8-5-9-15-24/h4-19,27-29H,1-2,20-22H2,3H3/t27-,28+,29-,30+/m1/s1
InChIKeyNUUQLXRLVHHWSK-ATIZSFMBSA-N
MW472.58 g/mol
LogP5.82
Rot. Bonds11

About (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane

(2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 11465606) has the molecular formula C30H32O5 and a molecular weight of 472.58 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
PubChem CID11465606
Molecular FormulaC30H32O5
Molecular Weight472.58 g/mol
Exact Mass472.22
IUPAC Name(2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
SMILESC=C[C@]1(OC)OC(=C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H32O5/c1-4-30(31-3)29(34-22-26-18-12-7-13-19-26)28(33-21-25-16-10-6-11-17-25)27(23(2)35-30)32-20-24-14-8-5-9-15-24/h4-19,27-29H,1-2,20-22H2,3H3/t27-,28+,29-,30+/m1/s1
InChIKeyNUUQLXRLVHHWSK-ATIZSFMBSA-N
XLogP5.82
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.58
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5S,6R)-2-ethenyl-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 122227332
(2S,3S,4S)-2-ethenyl-5-methylidene-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 24769812
(2S,3S,4R,5S)-2-ethenyl-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
CID 101055256
(3R,4S,5S)-2-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 51350664
2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
CID 123211953
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(3R,4S)-4-methyl-2-methylidene-3-phenylmethoxyoxolane
CID 167192041
(2S,4S,5S)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(3S,4S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]oxane
CID 146029712
(2S,4S,5S)-2-cyclohexyloxy-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 146029719
2-[(2S,3R,4S,5R,6R)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyacetic acid
CID 10985025
(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane
CID 10247548
(3R,4S,5S)-6,6-bis[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 59226813

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane (CID 11465606) is (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane is C=C[C@]1(OC)OC(=C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is NUUQLXRLVHHWSK-ATIZSFMBSA-N. The full InChI is InChI=1S/C30H32O5/c1-4-30(31-3)29(34-22-26-18-12-7-13-19-26)28(33-21-25-16-10-6-11-17-25)27(23(2)35-30)32-20-24-14-8-5-9-15-24/h4-19,27-29H,1-2,20-22H2,3H3/t27-,28+,29-,30+/m1/s1.
What are the key properties of (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane?
(2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 472.58 g/mol, XLogP of 5.82, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-ethenyl-2-methoxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 11465606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).