[(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane

C28H59IO2Si2 — CID 11204271

IUPAC[(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane
SMILESCC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)I
InChIInChI=1S/C28H59IO2Si2/c1-17-22(8)26(31-33(19(2)3,20(4)5)21(6)7)25(11)27(23(9)18-24(10)29)30-32(15,16)28(12,13)14/h18-23,25-27H,17H2,1-16H3/b24-18+/t22-,23-,25+,26-,27+/m1/s1
InChIKeyBYHYRGWJKOVCCJ-ZSPMNJKISA-N
MW610.85 g/mol
LogP10.59
Rot. Bonds13

About [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane

[(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane (PubChem CID 11204271) has the molecular formula C28H59IO2Si2 and a molecular weight of 610.85 g/mol. Its IUPAC name is [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane
PubChem CID11204271
Molecular FormulaC28H59IO2Si2
Molecular Weight610.85 g/mol
Exact Mass610.31
IUPAC Name[(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane
SMILESCC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)I
InChIInChI=1S/C28H59IO2Si2/c1-17-22(8)26(31-33(19(2)3,20(4)5)21(6)7)25(11)27(23(9)18-24(10)29)30-32(15,16)28(12,13)14/h18-23,25-27H,17H2,1-16H3/b24-18+/t22-,23-,25+,26-,27+/m1/s1
InChIKeyBYHYRGWJKOVCCJ-ZSPMNJKISA-N
XLogP10.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.85
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane 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 [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane (CID 11204271) is [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane is CC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)I.
What is the InChIKey of [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane?
The InChIKey is BYHYRGWJKOVCCJ-ZSPMNJKISA-N. The full InChI is InChI=1S/C28H59IO2Si2/c1-17-22(8)26(31-33(19(2)3,20(4)5)21(6)7)25(11)27(23(9)18-24(10)29)30-32(15,16)28(12,13)14/h18-23,25-27H,17H2,1-16H3/b24-18+/t22-,23-,25+,26-,27+/m1/s1.
What are the key properties of [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane?
[(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane has a molecular weight of 610.85 g/mol, XLogP of 10.59, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11204271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).