2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane

C30H34O5 — CID 42609162

IUPAC2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C30H34O5/c1-3-19-31-30-29(34-22-26-17-11-6-12-18-26)28(33-21-25-15-9-5-10-16-25)27(23(2)35-30)32-20-24-13-7-4-8-14-24/h3-18,23,27-30H,1,19-22H2,2H3
InChIKeyGJRZTGOFUKVYMR-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.69
Rot. Bonds12

About 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane

2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane (PubChem CID 42609162) has the molecular formula C30H34O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane
PubChem CID42609162
Molecular FormulaC30H34O5
Molecular Weight474.60 g/mol
Exact Mass474.24
IUPAC Name2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C30H34O5/c1-3-19-31-30-29(34-22-26-17-11-6-12-18-26)28(33-21-25-15-9-5-10-16-25)27(23(2)35-30)32-20-24-13-7-4-8-14-24/h3-18,23,27-30H,1,19-22H2,2H3
InChIKeyGJRZTGOFUKVYMR-UHFFFAOYSA-N
XLogP5.69
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.69
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

(2R,3S,4S,5R,6R)-2-methyl-3-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
CID 11377812
(2R,3R,6R)-2-methyl-5-phenylmethoxy-6-prop-2-enoxyoxane-3,4-diol
CID 170516720
(2S,3S,4R,5R,6R)-4-[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methyl-3,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
CID 11479816
[(2R,3R,4R,5S,6S)-6-methyl-4,5-bis(phenylmethoxy)-2-prop-2-enoxyoxan-3-yl] 4-oxopentanoate
CID 25157484
(3aR,4S,7S,7aR)-2,2,4-trimethyl-7-phenylmethoxy-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101091396
(2S,3S,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane-2-carboxylic acid
CID 14393012
(2S,3S,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-6-methyl-5-phenylmethoxy-4-prop-2-enoxyoxan-3-ol
CID 11498271
(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
[(2S,3R,4R,5S,6S)-4-benzoyloxy-6-[(2S,3R,4R,5S,6R)-3-hydroxy-2-methyl-5-phenylmethoxy-6-prop-2-enoxyoxan-4-yl]oxy-2-methyl-5-phenylmethoxyoxan-3-yl] benzoate
CID 101199931
(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 59270262
[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[(2S,3R,4R,5S,6S)-2-acetyloxy-6-methyl-3-phenylmethoxy-5-prop-2-enoxyoxan-4-yl]oxy-2-methyloxan-3-yl] acetate
CID 25171721
[(2R,3R,4R,5S,6S)-6-methyl-5-phenylmethoxy-2-prop-2-enoxy-4-(2-trimethylsilylethoxymethoxy)oxan-3-yl] benzoate
CID 14541676

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane?
The IUPAC name of 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane (CID 42609162) is 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane.
What is the SMILES notation for 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane?
The canonical SMILES for 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane is C=CCOC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane?
The InChIKey is GJRZTGOFUKVYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O5/c1-3-19-31-30-29(34-22-26-17-11-6-12-18-26)28(33-21-25-15-9-5-10-16-25)27(23(2)35-30)32-20-24-13-7-4-8-14-24/h3-18,23,27-30H,1,19-22H2,2H3.
What are the key properties of 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane?
2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane has a molecular weight of 474.60 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane is sourced from PubChem (CID 42609162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).