(7S)-7,10-bis(phenylmethoxy)decanal

C24H32O3 — CID 25269716

IUPAC(7S)-7,10-bis(phenylmethoxy)decanal
SMILESO=CCCCCC[C@@H](CCCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H32O3/c25-18-10-2-1-9-16-24(27-21-23-14-7-4-8-15-23)17-11-19-26-20-22-12-5-3-6-13-22/h3-8,12-15,18,24H,1-2,9-11,16-17,19-21H2/t24-/m0/s1
InChIKeyJCMOGIQLOWLALH-DEOSSOPVSA-N
MW368.52 g/mol
LogP5.72
Rot. Bonds15

About (7S)-7,10-bis(phenylmethoxy)decanal

(7S)-7,10-bis(phenylmethoxy)decanal (PubChem CID 25269716) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is (7S)-7,10-bis(phenylmethoxy)decanal.

Molecular Properties

Compound Name(7S)-7,10-bis(phenylmethoxy)decanal
PubChem CID25269716
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name(7S)-7,10-bis(phenylmethoxy)decanal
SMILESO=CCCCCC[C@@H](CCCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H32O3/c25-18-10-2-1-9-16-24(27-21-23-14-7-4-8-15-23)17-11-19-26-20-22-12-5-3-6-13-22/h3-8,12-15,18,24H,1-2,9-11,16-17,19-21H2/t24-/m0/s1
InChIKeyJCMOGIQLOWLALH-DEOSSOPVSA-N
XLogP5.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.72
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'}

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Related Compounds

(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
(3R)-3,7-bis(phenylmethoxy)heptan-1-ol
CID 135025227
(3R)-3-phenylmethoxyoctadecanal
CID 71606936
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
4-(2-phenylmethoxyethyl)hex-5-enal
CID 139530154
10-phenylmethoxydec-4-ynal
CID 10988968
2-octadecan-5-yloxyethoxymethylbenzene
CID 122548106
2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827
(2S,3S,5R)-3,5-bis[(4-methoxyphenyl)methoxy]-2-methyl-8-phenylmethoxyoctanal
CID 53359239
14-(14-oxo-1-phenylmethoxytetradec-2-enoxy)-14-phenylmethoxytetradec-12-enal
CID 162350506
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045

Frequently Asked Questions

What is the IUPAC name of (7S)-7,10-bis(phenylmethoxy)decanal?
The IUPAC name of (7S)-7,10-bis(phenylmethoxy)decanal (CID 25269716) is (7S)-7,10-bis(phenylmethoxy)decanal.
What is the SMILES notation for (7S)-7,10-bis(phenylmethoxy)decanal?
The canonical SMILES for (7S)-7,10-bis(phenylmethoxy)decanal is O=CCCCCC[C@@H](CCCOCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (7S)-7,10-bis(phenylmethoxy)decanal?
The InChIKey is JCMOGIQLOWLALH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H32O3/c25-18-10-2-1-9-16-24(27-21-23-14-7-4-8-15-23)17-11-19-26-20-22-12-5-3-6-13-22/h3-8,12-15,18,24H,1-2,9-11,16-17,19-21H2/t24-/m0/s1.
What are the key properties of (7S)-7,10-bis(phenylmethoxy)decanal?
(7S)-7,10-bis(phenylmethoxy)decanal has a molecular weight of 368.52 g/mol, XLogP of 5.72, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7,10-bis(phenylmethoxy)decanal is sourced from PubChem (CID 25269716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).