(3R)-1-trityloxytetradecan-3-ol

C33H44O2 — CID 15104977

IUPAC(3R)-1-trityloxytetradecan-3-ol
SMILESCCCCCCCCCCC[C@@H](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/t32-/m1/s1
InChIKeyCZERCZFYUJYAJR-JGCGQSQUSA-N
MW472.71 g/mol
LogP8.67
Rot. Bonds17

About (3R)-1-trityloxytetradecan-3-ol

(3R)-1-trityloxytetradecan-3-ol (PubChem CID 15104977) has the molecular formula C33H44O2 and a molecular weight of 472.71 g/mol. Its IUPAC name is (3R)-1-trityloxytetradecan-3-ol.

Molecular Properties

Compound Name(3R)-1-trityloxytetradecan-3-ol
PubChem CID15104977
Molecular FormulaC33H44O2
Molecular Weight472.71 g/mol
Exact Mass472.33
IUPAC Name(3R)-1-trityloxytetradecan-3-ol
SMILESCCCCCCCCCCC[C@@H](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/t32-/m1/s1
InChIKeyCZERCZFYUJYAJR-JGCGQSQUSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-trityloxytetradecan-3-ol?
The IUPAC name of (3R)-1-trityloxytetradecan-3-ol (CID 15104977) is (3R)-1-trityloxytetradecan-3-ol.
What is the SMILES notation for (3R)-1-trityloxytetradecan-3-ol?
The canonical SMILES for (3R)-1-trityloxytetradecan-3-ol is CCCCCCCCCCC[C@@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-1-trityloxytetradecan-3-ol?
The InChIKey is CZERCZFYUJYAJR-JGCGQSQUSA-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/t32-/m1/s1.
What are the key properties of (3R)-1-trityloxytetradecan-3-ol?
(3R)-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 (3R)-1-trityloxytetradecan-3-ol is sourced from PubChem (CID 15104977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).