[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane

C35H66O5Si — CID 175101968

IUPAC[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane
SMILESC=CCCCCCCCCO[C@@H]1O[C@H](CO[SiH3])[C@@H](OCCCCCCCCC=C)[C@H]1OCCCCCCCCC=C
InChIInChI=1S/C35H66O5Si/c1-4-7-10-13-16-19-22-25-28-36-33-32(31-39-41)40-35(38-30-27-24-21-18-15-12-9-6-3)34(33)37-29-26-23-20-17-14-11-8-5-2/h4-6,32-35H,1-3,7-31H2,41H3/t32-,33-,34-,35-/m1/s1
InChIKeyPVFCKEDXAYIVSC-BAQBVXSRSA-N
MW594.99 g/mol
LogP8.55
Rot. Bonds32

About [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane

[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane (PubChem CID 175101968) has the molecular formula C35H66O5Si and a molecular weight of 594.99 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane
PubChem CID175101968
Molecular FormulaC35H66O5Si
Molecular Weight594.99 g/mol
Exact Mass594.47
IUPAC Name[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane
SMILESC=CCCCCCCCCO[C@@H]1O[C@H](CO[SiH3])[C@@H](OCCCCCCCCC=C)[C@H]1OCCCCCCCCC=C
InChIInChI=1S/C35H66O5Si/c1-4-7-10-13-16-19-22-25-28-36-33-32(31-39-41)40-35(38-30-27-24-21-18-15-12-9-6-3)34(33)37-29-26-23-20-17-14-11-8-5-2/h4-6,32-35H,1-3,7-31H2,41H3/t32-,33-,34-,35-/m1/s1
InChIKeyPVFCKEDXAYIVSC-BAQBVXSRSA-N
XLogP8.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.99
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane?
The IUPAC name of [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane (CID 175101968) is [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane?
The canonical SMILES for [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane is C=CCCCCCCCCO[C@@H]1O[C@H](CO[SiH3])[C@@H](OCCCCCCCCC=C)[C@H]1OCCCCCCCCC=C.
What is the InChIKey of [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane?
The InChIKey is PVFCKEDXAYIVSC-BAQBVXSRSA-N. The full InChI is InChI=1S/C35H66O5Si/c1-4-7-10-13-16-19-22-25-28-36-33-32(31-39-41)40-35(38-30-27-24-21-18-15-12-9-6-3)34(33)37-29-26-23-20-17-14-11-8-5-2/h4-6,32-35H,1-3,7-31H2,41H3/t32-,33-,34-,35-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane?
[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane has a molecular weight of 594.99 g/mol, XLogP of 8.55, 32 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxysilane is sourced from PubChem (CID 175101968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).