1-non-8-enoxy-3-trityloxypropan-2-ol

C31H38O3 — CID 168868350

IUPAC1-non-8-enoxy-3-trityloxypropan-2-ol
SMILESC=CCCCCCCCOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H38O3/c1-2-3-4-5-6-7-17-24-33-25-30(32)26-34-31(27-18-11-8-12-19-27,28-20-13-9-14-21-28)29-22-15-10-16-23-29/h2,8-16,18-23,30,32H,1,3-7,17,24-26H2
InChIKeyDOOFVHRIFRHOIC-UHFFFAOYSA-N
MW458.64 g/mol
LogP6.90
Rot. Bonds16

About 1-non-8-enoxy-3-trityloxypropan-2-ol

1-non-8-enoxy-3-trityloxypropan-2-ol (PubChem CID 168868350) has the molecular formula C31H38O3 and a molecular weight of 458.64 g/mol. Its IUPAC name is 1-non-8-enoxy-3-trityloxypropan-2-ol.

Molecular Properties

Compound Name1-non-8-enoxy-3-trityloxypropan-2-ol
PubChem CID168868350
Molecular FormulaC31H38O3
Molecular Weight458.64 g/mol
Exact Mass458.28
IUPAC Name1-non-8-enoxy-3-trityloxypropan-2-ol
SMILESC=CCCCCCCCOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H38O3/c1-2-3-4-5-6-7-17-24-33-25-30(32)26-34-31(27-18-11-8-12-19-27,28-20-13-9-14-21-28)29-22-15-10-16-23-29/h2,8-16,18-23,30,32H,1,3-7,17,24-26H2
InChIKeyDOOFVHRIFRHOIC-UHFFFAOYSA-N
XLogP6.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.64
LogP ≤ 56.90
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)-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
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[(Z)-docos-13-enoxy]propan-2-ol
CID 118667697
carbamic acid;1-octadecoxy-3-trityloxypropan-2-ol
CID 71409528
[diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene
CID 101454481
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
(2R)-2-hex-5-enoxy-1-trityloxyundecan-3-ol
CID 67230401
(2R)-2-hex-5-enoxy-1-trityloxynonadecan-3-ol
CID 67229541
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923

Frequently Asked Questions

What is the IUPAC name of 1-non-8-enoxy-3-trityloxypropan-2-ol?
The IUPAC name of 1-non-8-enoxy-3-trityloxypropan-2-ol (CID 168868350) is 1-non-8-enoxy-3-trityloxypropan-2-ol.
What is the SMILES notation for 1-non-8-enoxy-3-trityloxypropan-2-ol?
The canonical SMILES for 1-non-8-enoxy-3-trityloxypropan-2-ol is C=CCCCCCCCOCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-non-8-enoxy-3-trityloxypropan-2-ol?
The InChIKey is DOOFVHRIFRHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O3/c1-2-3-4-5-6-7-17-24-33-25-30(32)26-34-31(27-18-11-8-12-19-27,28-20-13-9-14-21-28)29-22-15-10-16-23-29/h2,8-16,18-23,30,32H,1,3-7,17,24-26H2.
What are the key properties of 1-non-8-enoxy-3-trityloxypropan-2-ol?
1-non-8-enoxy-3-trityloxypropan-2-ol has a molecular weight of 458.64 g/mol, XLogP of 6.90, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-non-8-enoxy-3-trityloxypropan-2-ol is sourced from PubChem (CID 168868350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).