2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

C17H22O3 — CID 10588392

IUPAC2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESO=CC[C@@H]1C=CC[C@@H](CCCOCc2ccccc2)O1
InChIInChI=1S/C17H22O3/c18-12-11-17-9-4-8-16(20-17)10-5-13-19-14-15-6-2-1-3-7-15/h1-4,6-7,9,12,16-17H,5,8,10-11,13-14H2/t16-,17-/m0/s1
InChIKeyCUTJMQDHVYULOM-IRXDYDNUSA-N
MW274.36 g/mol
LogP3.29
Rot. Bonds8

About 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (PubChem CID 10588392) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
PubChem CID10588392
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESO=CC[C@@H]1C=CC[C@@H](CCCOCc2ccccc2)O1
InChIInChI=1S/C17H22O3/c18-12-11-17-9-4-8-16(20-17)10-5-13-19-14-15-6-2-1-3-7-15/h1-4,6-7,9,12,16-17H,5,8,10-11,13-14H2/t16-,17-/m0/s1
InChIKeyCUTJMQDHVYULOM-IRXDYDNUSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827
2-[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetaldehyde
CID 91195205
trans-(1R,2R)-2-(3-phenylmethoxypropyl)cyclopropane-1-carbaldehyde
CID 135039485
2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one
CID 11075746
(2S,6R)-2-[(2R)-2-methyl-3-phenylmethoxypropyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 11335159
ethyl (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(2-phenylmethoxyethyl)-3,6-dihydro-2H-pyran-2-yl]pentanoate
CID 11451580
2-phenyl-3-(3-phenylmethoxypropyl)oxirane
CID 13389573
[(2S,3R,4R,6S)-4-phenylmethoxy-6-(3-phenylmethoxypropyl)-2-prop-2-enyloxan-3-yl] acetate
CID 101117759
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
(2S,3R)-3-(2-phenylmethoxyethyl)oxirane-2-carbaldehyde
CID 131847944
(4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one
CID 101081018
(6S)-2,2-dimethyl-6-(3-phenylmethoxypropyl)-1,3-dioxane-4-carbonitrile
CID 11460449

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The IUPAC name of 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (CID 10588392) is 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is O=CC[C@@H]1C=CC[C@@H](CCCOCc2ccccc2)O1.
What is the InChIKey of 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The InChIKey is CUTJMQDHVYULOM-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H22O3/c18-12-11-17-9-4-8-16(20-17)10-5-13-19-14-15-6-2-1-3-7-15/h1-4,6-7,9,12,16-17H,5,8,10-11,13-14H2/t16-,17-/m0/s1.
What are the key properties of 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde has a molecular weight of 274.36 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2-(3-phenylmethoxypropyl)-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is sourced from PubChem (CID 10588392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).