3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde

C28H28O5 — CID 73085234

IUPAC3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde
SMILESO=CC1=COC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C28H28O5/c29-16-25-20-31-26(21-30-17-22-10-4-1-5-11-22)28(33-19-24-14-8-3-9-15-24)27(25)32-18-23-12-6-2-7-13-23/h1-16,20,26-28H,17-19,21H2
InChIKeyPIPPBUYLQJWFCS-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.86
Rot. Bonds11

About 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde

3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde (PubChem CID 73085234) has the molecular formula C28H28O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde
PubChem CID73085234
Molecular FormulaC28H28O5
Molecular Weight444.53 g/mol
Exact Mass444.19
IUPAC Name3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde
SMILESO=CC1=COC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C28H28O5/c29-16-25-20-31-26(21-30-17-22-10-4-1-5-11-22)28(33-19-24-14-8-3-9-15-24)27(25)32-18-23-12-6-2-7-13-23/h1-16,20,26-28H,17-19,21H2
InChIKeyPIPPBUYLQJWFCS-UHFFFAOYSA-N
XLogP4.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 85318993
[(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methanol
CID 102479645
[(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]methanol
CID 102008999
(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-(prop-2-ynoxymethyl)-3,4-dihydro-2H-pyran
CID 24755919
(2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde
CID 102493039
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-[(R)-phenylsulfinyl]-3,4-dihydro-2H-pyran-6-carbaldehyde
CID 11039066
(2S,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 14039722
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 11743535
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
2-[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde
CID 91195205

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde?
The IUPAC name of 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde (CID 73085234) is 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde.
What is the SMILES notation for 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde?
The canonical SMILES for 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde is O=CC1=COC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde?
The InChIKey is PIPPBUYLQJWFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O5/c29-16-25-20-31-26(21-30-17-22-10-4-1-5-11-22)28(33-19-24-14-8-3-9-15-24)27(25)32-18-23-12-6-2-7-13-23/h1-16,20,26-28H,17-19,21H2.
What are the key properties of 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde?
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde has a molecular weight of 444.53 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde is sourced from PubChem (CID 73085234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).