(2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol

C44H64O3 — CID 67229541

IUPAC(2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol
SMILESC=CCCCCO[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C44H64O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-28-36-42(45)43(46-37-29-8-6-4-2)38-47-44(39-30-22-19-23-31-39,40-32-24-20-25-33-40)41-34-26-21-27-35-41/h4,19-27,30-35,42-43,45H,2-3,5-18,28-29,36-38H2,1H3/t42?,43-/m1/s1
InChIKeyRQGBEFSVGNLHRP-XFCPCMSTSA-N
MW640.99 g/mol
LogP11.97
Rot. Bonds28

About (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol

(2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol (PubChem CID 67229541) has the molecular formula C44H64O3 and a molecular weight of 640.99 g/mol. Its IUPAC name is (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol.

Molecular Properties

Compound Name(2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol
PubChem CID67229541
Molecular FormulaC44H64O3
Molecular Weight640.99 g/mol
Exact Mass640.49
IUPAC Name(2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol
SMILESC=CCCCCO[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C44H64O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-28-36-42(45)43(46-37-29-8-6-4-2)38-47-44(39-30-22-19-23-31-39,40-32-24-20-25-33-40)41-34-26-21-27-35-41/h4,19-27,30-35,42-43,45H,2-3,5-18,28-29,36-38H2,1H3/t42?,43-/m1/s1
InChIKeyRQGBEFSVGNLHRP-XFCPCMSTSA-N
XLogP11.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.99
LogP ≤ 511.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hex-5-enoxy-1-trityloxyundecan-3-ol
CID 67230401
9-[(2S)-3-hydroxy-1-trityloxynonadecan-2-yl]oxynonanoic acid
CID 69043756
(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
(2S)-2-hex-5-enoxypentadecane-1,3-diol
CID 87317307
1-non-8-enoxy-3-trityloxypropan-2-ol
CID 168868350
1-trityloxyoctadecan-2-ol
CID 10436974
[diphenyl-[(2R,3R,4R,5R)-2,3,4,5-tetrabutoxy-6-trityloxyhexoxy]methyl]benzene
CID 90296827
(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
[3,4-bis[(Z)-octadec-9-enoxy]butoxy-diphenylmethyl]benzene
CID 100961937

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol?
The IUPAC name of (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol (CID 67229541) is (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol.
What is the SMILES notation for (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol?
The canonical SMILES for (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol is C=CCCCCO[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)CCCCCCCCCCCCCCCC.
What is the InChIKey of (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol?
The InChIKey is RQGBEFSVGNLHRP-XFCPCMSTSA-N. The full InChI is InChI=1S/C44H64O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-28-36-42(45)43(46-37-29-8-6-4-2)38-47-44(39-30-22-19-23-31-39,40-32-24-20-25-33-40)41-34-26-21-27-35-41/h4,19-27,30-35,42-43,45H,2-3,5-18,28-29,36-38H2,1H3/t42?,43-/m1/s1.
What are the key properties of (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol?
(2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol has a molecular weight of 640.99 g/mol, XLogP of 11.97, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol is sourced from PubChem (CID 67229541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).