1-tetradecoxy-3-trityloxypropan-2-ol

C36H50O3 — CID 12896847

IUPAC1-tetradecoxy-3-trityloxypropan-2-ol
SMILESCCCCCCCCCCCCCCOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-38-30-35(37)31-39-36(32-23-16-13-17-24-32,33-25-18-14-19-26-33)34-27-20-15-21-28-34/h13-21,23-28,35,37H,2-12,22,29-31H2,1H3
InChIKeyGJUSRKNFTFMNKX-UHFFFAOYSA-N
MW530.79 g/mol
LogP9.07
Rot. Bonds21

About 1-tetradecoxy-3-trityloxypropan-2-ol

1-tetradecoxy-3-trityloxypropan-2-ol (PubChem CID 12896847) has the molecular formula C36H50O3 and a molecular weight of 530.79 g/mol. Its IUPAC name is 1-tetradecoxy-3-trityloxypropan-2-ol.

Molecular Properties

Compound Name1-tetradecoxy-3-trityloxypropan-2-ol
PubChem CID12896847
Molecular FormulaC36H50O3
Molecular Weight530.79 g/mol
Exact Mass530.38
IUPAC Name1-tetradecoxy-3-trityloxypropan-2-ol
SMILESCCCCCCCCCCCCCCOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-38-30-35(37)31-39-36(32-23-16-13-17-24-32,33-25-18-14-19-26-33)34-27-20-15-21-28-34/h13-21,23-28,35,37H,2-12,22,29-31H2,1H3
InChIKeyGJUSRKNFTFMNKX-UHFFFAOYSA-N
XLogP9.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.79
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477
(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
carbamic acid;1-octadecoxy-3-trityloxypropan-2-ol
CID 71409528
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[(Z)-docos-13-enoxy]propan-2-ol
CID 118667697
1-trityloxyoctadecan-2-ol
CID 10436974
1-non-8-enoxy-3-trityloxypropan-2-ol
CID 168868350
[(3-octadecoxy-2-phenoxypropoxy)-diphenylmethyl]benzene
CID 154476961
methyl (1-octadecoxy-3-trityloxypropan-2-yl) carbonate
CID 70521222
ethyl 5-bromopentanoate;ethyl 5-(1-hexadecoxy-3-trityloxypropan-2-yl)oxypentanoate;1-hexadecoxy-3-trityloxypropan-2-ol
CID 162210371
(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

Frequently Asked Questions

What is the IUPAC name of 1-tetradecoxy-3-trityloxypropan-2-ol?
The IUPAC name of 1-tetradecoxy-3-trityloxypropan-2-ol (CID 12896847) is 1-tetradecoxy-3-trityloxypropan-2-ol.
What is the SMILES notation for 1-tetradecoxy-3-trityloxypropan-2-ol?
The canonical SMILES for 1-tetradecoxy-3-trityloxypropan-2-ol is CCCCCCCCCCCCCCOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-tetradecoxy-3-trityloxypropan-2-ol?
The InChIKey is GJUSRKNFTFMNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-38-30-35(37)31-39-36(32-23-16-13-17-24-32,33-25-18-14-19-26-33)34-27-20-15-21-28-34/h13-21,23-28,35,37H,2-12,22,29-31H2,1H3.
What are the key properties of 1-tetradecoxy-3-trityloxypropan-2-ol?
1-tetradecoxy-3-trityloxypropan-2-ol has a molecular weight of 530.79 g/mol, XLogP of 9.07, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecoxy-3-trityloxypropan-2-ol is sourced from PubChem (CID 12896847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).