(2S)-6-trityloxyhexane-1,2-diol

C25H28O3 — CID 100961940

IUPAC(2S)-6-trityloxyhexane-1,2-diol
SMILESOC[C@@H](O)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O3/c26-20-24(27)18-10-11-19-28-25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24,26-27H,10-11,18-20H2/t24-/m0/s1
InChIKeyPPTXAKOVZZSRES-DEOSSOPVSA-N
MW376.50 g/mol
LogP4.52
Rot. Bonds10

About (2S)-6-trityloxyhexane-1,2-diol

(2S)-6-trityloxyhexane-1,2-diol (PubChem CID 100961940) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is (2S)-6-trityloxyhexane-1,2-diol.

Molecular Properties

Compound Name(2S)-6-trityloxyhexane-1,2-diol
PubChem CID100961940
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name(2S)-6-trityloxyhexane-1,2-diol
SMILESOC[C@@H](O)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O3/c26-20-24(27)18-10-11-19-28-25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24,26-27H,10-11,18-20H2/t24-/m0/s1
InChIKeyPPTXAKOVZZSRES-DEOSSOPVSA-N
XLogP4.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-ditrityloxypentan-3-ol
CID 140507927
(2S)-2-hydroxy-6-trityloxyhexanenitrile
CID 101359506
1-trityloxytetradecan-3-ol
CID 71342983
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
1,4-ditrityloxybutan-2-ol
CID 13443283
(3S)-1-trityloxypentan-3-ol
CID 11163798
(2R)-1-amino-4-trityloxybutan-2-ol
CID 69243121
(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol
CID 11070122
1-trityloxyoctadecan-2-ol
CID 10436974
4-trityloxybutane-1,3-diol
CID 14027583
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283

Frequently Asked Questions

What is the IUPAC name of (2S)-6-trityloxyhexane-1,2-diol?
The IUPAC name of (2S)-6-trityloxyhexane-1,2-diol (CID 100961940) is (2S)-6-trityloxyhexane-1,2-diol.
What is the SMILES notation for (2S)-6-trityloxyhexane-1,2-diol?
The canonical SMILES for (2S)-6-trityloxyhexane-1,2-diol is OC[C@@H](O)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-6-trityloxyhexane-1,2-diol?
The InChIKey is PPTXAKOVZZSRES-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28O3/c26-20-24(27)18-10-11-19-28-25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24,26-27H,10-11,18-20H2/t24-/m0/s1.
What are the key properties of (2S)-6-trityloxyhexane-1,2-diol?
(2S)-6-trityloxyhexane-1,2-diol has a molecular weight of 376.50 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-trityloxyhexane-1,2-diol is sourced from PubChem (CID 100961940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).