1-trityloxytetradecan-3-ol

C33H44O2 — CID 71342983

IUPAC1-trityloxytetradecan-3-ol
SMILESCCCCCCCCCCCC(O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H44O2/c1-2-3-4-5-6-7-8-9-19-26-32(34)27-28-35-33(29-20-13-10-14-21-29,30-22-15-11-16-23-30)31-24-17-12-18-25-31/h10-18,20-25,32,34H,2-9,19,26-28H2,1H3
InChIKeyCZERCZFYUJYAJR-UHFFFAOYSA-N
MW472.71 g/mol
LogP8.67
Rot. Bonds17

About 1-trityloxytetradecan-3-ol

1-trityloxytetradecan-3-ol (PubChem CID 71342983) has the molecular formula C33H44O2 and a molecular weight of 472.71 g/mol. Its IUPAC name is 1-trityloxytetradecan-3-ol.

Molecular Properties

Compound Name1-trityloxytetradecan-3-ol
PubChem CID71342983
Molecular FormulaC33H44O2
Molecular Weight472.71 g/mol
Exact Mass472.33
IUPAC Name1-trityloxytetradecan-3-ol
SMILESCCCCCCCCCCCC(O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H44O2/c1-2-3-4-5-6-7-8-9-19-26-32(34)27-28-35-33(29-20-13-10-14-21-29,30-22-15-11-16-23-30)31-24-17-12-18-25-31/h10-18,20-25,32,34H,2-9,19,26-28H2,1H3
InChIKeyCZERCZFYUJYAJR-UHFFFAOYSA-N
XLogP8.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.71
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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(3S)-1-trityloxypentan-3-ol
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1,4-ditrityloxybutan-2-ol
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(2R)-1-octoxy-3-trityloxypropan-2-ol
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1-tetradecoxy-3-trityloxypropan-2-ol
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(2R)-1-icosoxy-3-trityloxypropan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-trityloxytetradecan-3-ol?
The IUPAC name of 1-trityloxytetradecan-3-ol (CID 71342983) is 1-trityloxytetradecan-3-ol.
What is the SMILES notation for 1-trityloxytetradecan-3-ol?
The canonical SMILES for 1-trityloxytetradecan-3-ol is CCCCCCCCCCCC(O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-trityloxytetradecan-3-ol?
The InChIKey is CZERCZFYUJYAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44O2/c1-2-3-4-5-6-7-8-9-19-26-32(34)27-28-35-33(29-20-13-10-14-21-29,30-22-15-11-16-23-30)31-24-17-12-18-25-31/h10-18,20-25,32,34H,2-9,19,26-28H2,1H3.
What are the key properties of 1-trityloxytetradecan-3-ol?
1-trityloxytetradecan-3-ol has a molecular weight of 472.71 g/mol, XLogP of 8.67, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trityloxytetradecan-3-ol is sourced from PubChem (CID 71342983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).