1,5-ditrityloxypentan-3-ol

C43H40O3 — CID 140507927

IUPAC1,5-ditrityloxypentan-3-ol
SMILESOC(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H40O3/c44-41(31-33-45-42(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)32-34-46-43(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41,44H,31-34H2
InChIKeyWHMQCWFNURZSQW-UHFFFAOYSA-N
MW604.79 g/mol
LogP9.14
Rot. Bonds14

About 1,5-ditrityloxypentan-3-ol

1,5-ditrityloxypentan-3-ol (PubChem CID 140507927) has the molecular formula C43H40O3 and a molecular weight of 604.79 g/mol. Its IUPAC name is 1,5-ditrityloxypentan-3-ol.

Molecular Properties

Compound Name1,5-ditrityloxypentan-3-ol
PubChem CID140507927
Molecular FormulaC43H40O3
Molecular Weight604.79 g/mol
Exact Mass604.30
IUPAC Name1,5-ditrityloxypentan-3-ol
SMILESOC(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H40O3/c44-41(31-33-45-42(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)32-34-46-43(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41,44H,31-34H2
InChIKeyWHMQCWFNURZSQW-UHFFFAOYSA-N
XLogP9.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.79
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 13443283
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CID 11163798
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CID 69243121
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
1-trityloxytetradecan-3-ol
CID 71342983
3-hydroxy-5-trityloxypentanal
CID 85379091
(2S)-6-trityloxyhexane-1,2-diol
CID 100961940
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate
CID 59735285
4-trityloxybutane-1,3-diol
CID 14027583
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612

Frequently Asked Questions

What is the IUPAC name of 1,5-ditrityloxypentan-3-ol?
The IUPAC name of 1,5-ditrityloxypentan-3-ol (CID 140507927) is 1,5-ditrityloxypentan-3-ol.
What is the SMILES notation for 1,5-ditrityloxypentan-3-ol?
The canonical SMILES for 1,5-ditrityloxypentan-3-ol is OC(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,5-ditrityloxypentan-3-ol?
The InChIKey is WHMQCWFNURZSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40O3/c44-41(31-33-45-42(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37)32-34-46-43(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,41,44H,31-34H2.
What are the key properties of 1,5-ditrityloxypentan-3-ol?
1,5-ditrityloxypentan-3-ol has a molecular weight of 604.79 g/mol, XLogP of 9.14, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditrityloxypentan-3-ol is sourced from PubChem (CID 140507927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).