tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane

C19H31IOSi — CID 23658987

IUPACtert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](C)C[C@H]1CC#CI
InChIInChI=1S/C19H31IOSi/c1-8-10-17-16(11-9-12-20)13-15(2)14-18(17)21-22(6,7)19(3,4)5/h8,15-16H,1,10-11,13-14H2,2-7H3/t15-,16-/m1/s1
InChIKeyFSCRCVDXEAXJQU-HZPDHXFCSA-N
MW430.45 g/mol
LogP6.67
Rot. Bonds5

About tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane

tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane (PubChem CID 23658987) has the molecular formula C19H31IOSi and a molecular weight of 430.45 g/mol. Its IUPAC name is tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane
PubChem CID23658987
Molecular FormulaC19H31IOSi
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC Nametert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane
SMILESC=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](C)C[C@H]1CC#CI
InChIInChI=1S/C19H31IOSi/c1-8-10-17-16(11-9-12-20)13-15(2)14-18(17)21-22(6,7)19(3,4)5/h8,15-16H,1,10-11,13-14H2,2-7H3/t15-,16-/m1/s1
InChIKeyFSCRCVDXEAXJQU-HZPDHXFCSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane 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

Tert-butyl-(3-but-3-yn-2-ylcyclohexen-1-yl)oxy-dimethylsilane
CID 12079486
Trimethyl-[3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635032
triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane
CID 134956682
(3-But-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane
CID 10706895
tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane
CID 11460912
tert-butyl-dimethyl-[(3R,6R)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane
CID 100917076
tert-butyl-dimethyl-[(3R,6S)-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]oxysilane
CID 100917077
[(3R,5R)-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohexen-1-yl]oxy-tri(propan-2-yl)silane
CID 100949310
Tert-butyl-[3-(3-iodoprop-2-ynyl)-2-methylcyclohexen-1-yl]oxy-dimethylsilane
CID 101219354
tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane
CID 101219355
Tert-butyl-[3-(4-iodobut-3-yn-2-yl)-2-methylcyclohexen-1-yl]oxy-dimethylsilane
CID 101343228
tert-butyl-[(3S,5R)-3-(1-iodohept-1-yn-3-yl)-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-dimethylsilane
CID 101343229

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane (CID 23658987) is tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane is C=CCC1=C(O[Si](C)(C)C(C)(C)C)C[C@H](C)C[C@H]1CC#CI.
What is the InChIKey of tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane?
The InChIKey is FSCRCVDXEAXJQU-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H31IOSi/c1-8-10-17-16(11-9-12-20)13-15(2)14-18(17)21-22(6,7)19(3,4)5/h8,15-16H,1,10-11,13-14H2,2-7H3/t15-,16-/m1/s1.
What are the key properties of tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane?
tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane has a molecular weight of 430.45 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5R)-3-(3-iodoprop-2-ynyl)-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 23658987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).