tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane

C19H32OSi — CID 134977778

IUPACtert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane
SMILESC=C(C)[C@@H]1CC=C(C)[C@@H](C#CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H32OSi/c1-15(2)17-12-11-16(3)18(14-17)10-9-13-20-21(7,8)19(4,5)6/h11,17-18H,1,12-14H2,2-8H3/t17-,18+/m1/s1
InChIKeyGELWIQGUTPEJMM-MSOLQXFVSA-N
MW304.55 g/mol
LogP5.56
Rot. Bonds3

About tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane

tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane (PubChem CID 134977778) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane
PubChem CID134977778
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Nametert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane
SMILESC=C(C)[C@@H]1CC=C(C)[C@@H](C#CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H32OSi/c1-15(2)17-12-11-16(3)18(14-17)10-9-13-20-21(7,8)19(4,5)6/h11,17-18H,1,12-14H2,2-8H3/t17-,18+/m1/s1
InChIKeyGELWIQGUTPEJMM-MSOLQXFVSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triethoxy[2-(4-methylcyclohex-3-en-1-yl)propyl]silane
CID 13650253
trimethyl-[4-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]buta-1,3-diynyl]silane
CID 11085963
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
2-(Cyclohexen-1-yl)ethynoxy-tri(propan-2-yl)silane
CID 101766695
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
CID 134844349
2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane
CID 134887198
triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane
CID 135002116
Tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane
CID 154719685
tert-butyl-[(1R,2S)-2-[2-(cyclohexen-1-yl)ethynyl]cyclopentyl]oxy-dimethylsilane
CID 176434337
3-(Cyclohexen-1-yl)prop-2-ynoxy-trimethylsilane
CID 121015553
[(3S)-3,7-dimethyloct-6-enyl]-ethoxy-dimethylsilane
CID 13650260
[(3S)-3,7-dimethyloct-6-enyl]-triethoxysilane
CID 13650262

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane (CID 134977778) is tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane is C=C(C)[C@@H]1CC=C(C)[C@@H](C#CCO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane?
The InChIKey is GELWIQGUTPEJMM-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H32OSi/c1-15(2)17-12-11-16(3)18(14-17)10-9-13-20-21(7,8)19(4,5)6/h11,17-18H,1,12-14H2,2-8H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane?
tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane has a molecular weight of 304.55 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane is sourced from PubChem (CID 134977778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).