tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane

C29H52O2Si2 — CID 11329288

IUPACtert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane
SMILESC#CC1=C(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)CCC#CC(C)C
InChIInChI=1S/C29H52O2Si2/c1-15-25-24(22-30-32(11,12)27(4,5)6)26(31-33(13,14)28(7,8)9)19-21-29(25,10)20-17-16-18-23(2)3/h1,23,26H,17,19-22H2,2-14H3/t26-,29+/m0/s1
InChIKeyAPKAZXHYFKIVRB-LITSAYRRSA-N
MW488.91 g/mol
LogP8.57
Rot. Bonds7

About tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane

tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane (PubChem CID 11329288) has the molecular formula C29H52O2Si2 and a molecular weight of 488.91 g/mol. Its IUPAC name is tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane
PubChem CID11329288
Molecular FormulaC29H52O2Si2
Molecular Weight488.91 g/mol
Exact Mass488.35
IUPAC Nametert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane
SMILESC#CC1=C(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)CCC#CC(C)C
InChIInChI=1S/C29H52O2Si2/c1-15-25-24(22-30-32(11,12)27(4,5)6)26(31-33(13,14)28(7,8)9)19-21-29(25,10)20-17-16-18-23(2)3/h1,23,26H,17,19-22H2,2-14H3/t26-,29+/m0/s1
InChIKeyAPKAZXHYFKIVRB-LITSAYRRSA-N
XLogP8.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.91
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane 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 tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane (CID 11329288) is tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane is C#CC1=C(CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)CCC#CC(C)C.
What is the InChIKey of tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane?
The InChIKey is APKAZXHYFKIVRB-LITSAYRRSA-N. The full InChI is InChI=1S/C29H52O2Si2/c1-15-25-24(22-30-32(11,12)27(4,5)6)26(31-33(13,14)28(7,8)9)19-21-29(25,10)20-17-16-18-23(2)3/h1,23,26H,17,19-22H2,2-14H3/t26-,29+/m0/s1.
What are the key properties of tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane?
tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane has a molecular weight of 488.91 g/mol, XLogP of 8.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethynyl-3-methyl-3-(5-methylhex-3-ynyl)cyclohexen-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11329288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).