(7S)-7,10-bis(phenylmethoxy)decan-1-ol

C24H34O3 — CID 25269371

IUPAC(7S)-7,10-bis(phenylmethoxy)decan-1-ol
SMILESOCCCCCC[C@@H](CCCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H34O3/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/h3-8,12-15,24-25H,1-2,9-11,16-21H2/t24-/m0/s1
InChIKeyZZCCRWKRQRTGEZ-DEOSSOPVSA-N
MW370.53 g/mol
LogP5.51
Rot. Bonds15

About (7S)-7,10-bis(phenylmethoxy)decan-1-ol

(7S)-7,10-bis(phenylmethoxy)decan-1-ol (PubChem CID 25269371) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is (7S)-7,10-bis(phenylmethoxy)decan-1-ol.

Molecular Properties

Compound Name(7S)-7,10-bis(phenylmethoxy)decan-1-ol
PubChem CID25269371
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name(7S)-7,10-bis(phenylmethoxy)decan-1-ol
SMILESOCCCCCC[C@@H](CCCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H34O3/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/h3-8,12-15,24-25H,1-2,9-11,16-21H2/t24-/m0/s1
InChIKeyZZCCRWKRQRTGEZ-DEOSSOPVSA-N
XLogP5.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3,7-bis(phenylmethoxy)heptan-1-ol
CID 135025227
13-phenyl-4-phenylmethoxytridecan-1-ol
CID 15735700
(7S)-7,10-bis(phenylmethoxy)decanal
CID 25269716
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
18-hydroxy-11-phenylmethoxyoctadecanoic acid
CID 101300347
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
4-phenylmethoxynonadecan-1-ol
CID 15735676
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
2-(7-phenylmethoxyheptyl)propane-1,3-diol
CID 10612787
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282

Frequently Asked Questions

What is the IUPAC name of (7S)-7,10-bis(phenylmethoxy)decan-1-ol?
The IUPAC name of (7S)-7,10-bis(phenylmethoxy)decan-1-ol (CID 25269371) is (7S)-7,10-bis(phenylmethoxy)decan-1-ol.
What is the SMILES notation for (7S)-7,10-bis(phenylmethoxy)decan-1-ol?
The canonical SMILES for (7S)-7,10-bis(phenylmethoxy)decan-1-ol is OCCCCCC[C@@H](CCCOCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (7S)-7,10-bis(phenylmethoxy)decan-1-ol?
The InChIKey is ZZCCRWKRQRTGEZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H34O3/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/h3-8,12-15,24-25H,1-2,9-11,16-21H2/t24-/m0/s1.
What are the key properties of (7S)-7,10-bis(phenylmethoxy)decan-1-ol?
(7S)-7,10-bis(phenylmethoxy)decan-1-ol has a molecular weight of 370.53 g/mol, XLogP of 5.51, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7,10-bis(phenylmethoxy)decan-1-ol is sourced from PubChem (CID 25269371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).