(3S)-1-trityloxypentan-3-ol

C24H26O2 — CID 11163798

IUPAC(3S)-1-trityloxypentan-3-ol
SMILESCC[C@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2/c1-2-23(25)18-19-26-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23,25H,2,18-19H2,1H3/t23-/m0/s1
InChIKeyLPYUCAYKTRIVET-QHCPKHFHSA-N
MW346.47 g/mol
LogP5.16
Rot. Bonds8

About (3S)-1-trityloxypentan-3-ol

(3S)-1-trityloxypentan-3-ol (PubChem CID 11163798) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3S)-1-trityloxypentan-3-ol.

Molecular Properties

Compound Name(3S)-1-trityloxypentan-3-ol
PubChem CID11163798
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name(3S)-1-trityloxypentan-3-ol
SMILESCC[C@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2/c1-2-23(25)18-19-26-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23,25H,2,18-19H2,1H3/t23-/m0/s1
InChIKeyLPYUCAYKTRIVET-QHCPKHFHSA-N
XLogP5.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-1-amino-4-trityloxybutan-2-ol
CID 69243121
3-hydroxy-5-trityloxypentanal
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1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
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[(3R,4S)-4-hydroxy-6-trityloxyhexan-3-yl] acetate
CID 10971817
(2S)-6-trityloxyhexane-1,2-diol
CID 100961940
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
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heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-trityloxypentan-3-ol?
The IUPAC name of (3S)-1-trityloxypentan-3-ol (CID 11163798) is (3S)-1-trityloxypentan-3-ol.
What is the SMILES notation for (3S)-1-trityloxypentan-3-ol?
The canonical SMILES for (3S)-1-trityloxypentan-3-ol is CC[C@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-1-trityloxypentan-3-ol?
The InChIKey is LPYUCAYKTRIVET-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26O2/c1-2-23(25)18-19-26-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23,25H,2,18-19H2,1H3/t23-/m0/s1.
What are the key properties of (3S)-1-trityloxypentan-3-ol?
(3S)-1-trityloxypentan-3-ol has a molecular weight of 346.47 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-trityloxypentan-3-ol is sourced from PubChem (CID 11163798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).