(1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

C37H74O6 — CID 11227327

IUPAC(1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCCCCCCCCCCCCCCOC[C@@H](OCCCCCCCCCCCCCC)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO
InChIInChI=1S/C37H74O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-40-32-34(36-35(33(39)31-38)42-37(3,4)43-36)41-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-36,38-39H,5-32H2,1-4H3/t33-,34-,35-,36-/m1/s1
InChIKeyJTXAJLZJZJBRMP-MGXDLYCJSA-N
MW614.99 g/mol
LogP9.66
Rot. Bonds32

About (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

(1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (PubChem CID 11227327) has the molecular formula C37H74O6 and a molecular weight of 614.99 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
PubChem CID11227327
Molecular FormulaC37H74O6
Molecular Weight614.99 g/mol
Exact Mass614.55
IUPAC Name(1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCCCCCCCCCCCCCCOC[C@@H](OCCCCCCCCCCCCCC)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO
InChIInChI=1S/C37H74O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-40-32-34(36-35(33(39)31-38)42-37(3,4)43-36)41-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-36,38-39H,5-32H2,1-4H3/t33-,34-,35-,36-/m1/s1
InChIKeyJTXAJLZJZJBRMP-MGXDLYCJSA-N
XLogP9.66
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds32
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.99
LogP ≤ 59.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-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

(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
2-(decoxymethyl)propane-1,3-diol
CID 138675067
(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxynon-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 18658029
(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
(1R)-1-[(4R,5R)-5-[(2R)-1-hydroxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 142063838
3-heptoxypropane-1,2-diol;hydrate
CID 22908564

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (CID 11227327) is (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is CCCCCCCCCCCCCCOC[C@@H](OCCCCCCCCCCCCCC)[C@H]1OC(C)(C)O[C@@H]1[C@H](O)CO.
What is the InChIKey of (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The InChIKey is JTXAJLZJZJBRMP-MGXDLYCJSA-N. The full InChI is InChI=1S/C37H74O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-40-32-34(36-35(33(39)31-38)42-37(3,4)43-36)41-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-36,38-39H,5-32H2,1-4H3/t33-,34-,35-,36-/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
(1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol has a molecular weight of 614.99 g/mol, XLogP of 9.66, 32 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-5-[(1R)-1,2-di(tetradecoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 11227327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).