(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol

C27H30O3 — CID 45033911

IUPAC(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol
SMILESC=CC[C@@H](CO)C[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O3/c1-2-12-22(20-28)19-26(29)21-30-27(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h2-11,13-18,22,26,28-29H,1,12,19-21H2/t22-,26-/m1/s1
InChIKeyPEYHTEZGGFBISE-ATIYNZHBSA-N
MW402.53 g/mol
LogP4.93
Rot. Bonds11

About (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol

(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol (PubChem CID 45033911) has the molecular formula C27H30O3 and a molecular weight of 402.53 g/mol. Its IUPAC name is (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol.

Molecular Properties

Compound Name(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol
PubChem CID45033911
Molecular FormulaC27H30O3
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol
SMILESC=CC[C@@H](CO)C[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O3/c1-2-12-22(20-28)19-26(29)21-30-27(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h2-11,13-18,22,26,28-29H,1,12,19-21H2/t22-,26-/m1/s1
InChIKeyPEYHTEZGGFBISE-ATIYNZHBSA-N
XLogP4.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
(2R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-trityloxypentane-1,4-diol
CID 101038575
[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
CID 178116138
4-trityloxybutane-1,3-diol
CID 14027583
1-non-8-enoxy-3-trityloxypropan-2-ol
CID 168868350
1,4-ditrityloxybutan-2-ol
CID 13443283
(2S)-4-amino-1-trityloxybutan-2-ol
CID 11393893
(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol
CID 11761668
2-(phenoxymethyl)pent-4-en-1-ol
CID 15525340
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-(trityloxymethyl)pent-4-en-1-ol
CID 23657649
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
1-trityloxyoctadecan-2-ol
CID 10436974

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol?
The IUPAC name of (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol (CID 45033911) is (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol.
What is the SMILES notation for (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol?
The canonical SMILES for (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol is C=CC[C@@H](CO)C[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol?
The InChIKey is PEYHTEZGGFBISE-ATIYNZHBSA-N. The full InChI is InChI=1S/C27H30O3/c1-2-12-22(20-28)19-26(29)21-30-27(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h2-11,13-18,22,26,28-29H,1,12,19-21H2/t22-,26-/m1/s1.
What are the key properties of (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol?
(2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol has a molecular weight of 402.53 g/mol, XLogP of 4.93, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-prop-2-enyl-5-trityloxypentane-1,4-diol is sourced from PubChem (CID 45033911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).