(1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol

C40H56O4 — CID 140502477

IUPAC(1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESCCCCCCCCCCCCCC[C@@H]1OC(C)(C)O[C@H]1[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-24-31-37-38(44-39(2,3)43-37)36(41)32-42-40(33-25-18-15-19-26-33,34-27-20-16-21-28-34)35-29-22-17-23-30-35/h15-23,25-30,36-38,41H,4-14,24,31-32H2,1-3H3/t36-,37+,38+/m1/s1
InChIKeyXYPPEFVMVRTNJA-XWTVRQILSA-N
MW600.88 g/mol
LogP9.97
Rot. Bonds20

About (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol

(1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (PubChem CID 140502477) has the molecular formula C40H56O4 and a molecular weight of 600.88 g/mol. Its IUPAC name is (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.

Molecular Properties

Compound Name(1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
PubChem CID140502477
Molecular FormulaC40H56O4
Molecular Weight600.88 g/mol
Exact Mass600.42
IUPAC Name(1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESCCCCCCCCCCCCCC[C@@H]1OC(C)(C)O[C@H]1[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-24-31-37-38(44-39(2,3)43-37)36(41)32-42-40(33-25-18-15-19-26-33,34-27-20-16-21-28-34)35-29-22-17-23-30-35/h15-23,25-30,36-38,41H,4-14,24,31-32H2,1-3H3/t36-,37+,38+/m1/s1
InChIKeyXYPPEFVMVRTNJA-XWTVRQILSA-N
XLogP9.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.88
LogP ≤ 59.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol 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

(1R)-1-[(4S,5R)-2,2-dimethyl-5-[(E)-tridec-1-enyl]-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 56954451
(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 132576023
1-[(4R,5S)-5-(2,2-diiodoethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 90414139
1-trityloxyoctadecan-2-ol
CID 10436974
(3aS,6R,6aS)-6-[(1S)-1-hydroxy-2-trityloxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10837656
(1S)-1-[(4S,5R)-2,2-dimethyl-5-tetradec-7-ynyl-1,3-dioxolan-4-yl]propan-1-ol;[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradec-7-ynyl-1,3-dioxolan-4-yl]propyl] benzoate
CID 158069817
(1R)-1-[(4R,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-yn-1-ol
CID 53230771
(1S)-1-[(4S,5R)-2,2-dimethyl-5-tetradec-7-ynyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 58429845
(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 135009925
3-[(4R,5S)-5-decyl-2,2-dimethyl-1,3-dioxolan-4-yl]propyl-triphenylphosphanium
CID 10604506
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The IUPAC name of (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (CID 140502477) is (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.
What is the SMILES notation for (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The canonical SMILES for (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is CCCCCCCCCCCCCC[C@@H]1OC(C)(C)O[C@H]1[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The InChIKey is XYPPEFVMVRTNJA-XWTVRQILSA-N. The full InChI is InChI=1S/C40H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-24-31-37-38(44-39(2,3)43-37)36(41)32-42-40(33-25-18-15-19-26-33,34-27-20-16-21-28-34)35-29-22-17-23-30-35/h15-23,25-30,36-38,41H,4-14,24,31-32H2,1-3H3/t36-,37+,38+/m1/s1.
What are the key properties of (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
(1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol has a molecular weight of 600.88 g/mol, XLogP of 9.97, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is sourced from PubChem (CID 140502477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).