1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol

C44H66O5 — CID 19915086

IUPAC1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(O)COC(CC)OCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H66O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-26-33-42(45)38-48-43(4-2)47-36-34-46-35-37-49-44(39-27-20-17-21-28-39,40-29-22-18-23-30-40)41-31-24-19-25-32-41/h17-25,27-32,42-43,45H,3-16,26,33-38H2,1-2H3
InChIKeyLXIGADUYGZJQHW-UHFFFAOYSA-N
MW675.01 g/mol
LogP11.01
Rot. Bonds30

About 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol

1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol (PubChem CID 19915086) has the molecular formula C44H66O5 and a molecular weight of 675.01 g/mol. Its IUPAC name is 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol.

Molecular Properties

Compound Name1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol
PubChem CID19915086
Molecular FormulaC44H66O5
Molecular Weight675.01 g/mol
Exact Mass674.49
IUPAC Name1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(O)COC(CC)OCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H66O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-26-33-42(45)38-48-43(4-2)47-36-34-46-35-37-49-44(39-27-20-17-21-28-39,40-29-22-18-23-30-40)41-31-24-19-25-32-41/h17-25,27-32,42-43,45H,3-16,26,33-38H2,1-2H3
InChIKeyLXIGADUYGZJQHW-UHFFFAOYSA-N
XLogP11.01
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.01
LogP ≤ 511.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-trityloxyoctadecan-2-ol
CID 10436974
1-trityloxytetradecan-3-ol
CID 71342983
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
(3S)-1-trityloxypentan-3-ol
CID 11163798
(2R,3S,4S,5R)-2,5-dioctadecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631205
(2R,3S,4S,5R)-2,5-didecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631148
1,4-ditrityloxybutan-2-ol
CID 13443283
carbamic acid;1-octadecoxy-3-trityloxypropan-2-ol
CID 71409528

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol?
The IUPAC name of 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol (CID 19915086) is 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol.
What is the SMILES notation for 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol?
The canonical SMILES for 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol is CCCCCCCCCCCCCCCCC(O)COC(CC)OCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol?
The InChIKey is LXIGADUYGZJQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H66O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-26-33-42(45)38-48-43(4-2)47-36-34-46-35-37-49-44(39-27-20-17-21-28-39,40-29-22-18-23-30-40)41-31-24-19-25-32-41/h17-25,27-32,42-43,45H,3-16,26,33-38H2,1-2H3.
What are the key properties of 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol?
1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol has a molecular weight of 675.01 g/mol, XLogP of 11.01, 30 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-trityloxyethoxy)ethoxy]propoxy]octadecan-2-ol is sourced from PubChem (CID 19915086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).