tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane

C19H32OSi — CID 11460912

IUPACtert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane
SMILESC#CC[C@@H]1C[C@@H](C(=C)C)CC(O[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C19H32OSi/c1-10-11-16-12-17(14(2)3)13-18(15(16)4)20-21(8,9)19(5,6)7/h1,16-17H,2,11-13H2,3-9H3/t16-,17-/m1/s1
InChIKeyZHAUJXFNEXKLFJ-IAGOWNOFSA-N
MW304.55 g/mol
LogP5.91
Rot. Bonds4

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

tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane (PubChem CID 11460912) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane
PubChem CID11460912
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Nametert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane
SMILESC#CC[C@@H]1C[C@@H](C(=C)C)CC(O[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C19H32OSi/c1-10-11-16-12-17(14(2)3)13-18(15(16)4)20-21(8,9)19(5,6)7/h1,16-17H,2,11-13H2,3-9H3/t16-,17-/m1/s1
InChIKeyZHAUJXFNEXKLFJ-IAGOWNOFSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.91
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane (CID 11460912) is tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane is C#CC[C@@H]1C[C@@H](C(=C)C)CC(O[Si](C)(C)C(C)(C)C)=C1C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane?
The InChIKey is ZHAUJXFNEXKLFJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H32OSi/c1-10-11-16-12-17(14(2)3)13-18(15(16)4)20-21(8,9)19(5,6)7/h1,16-17H,2,11-13H2,3-9H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane?
tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane has a molecular weight of 304.55 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,5R)-2-methyl-5-prop-1-en-2-yl-3-prop-2-ynylcyclohexen-1-yl]oxysilane is sourced from PubChem (CID 11460912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).