[(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane

C19H32OSi — CID 86719927

IUPAC[(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane
SMILESC=C/C(O[Si](C)(C)C)=C1\C(=C)C(C)(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C19H32OSi/c1-12-16(20-21(9,10)11)17-15(4)18(5,6)13(2)14(3)19(17,7)8/h12H,1,4H2,2-3,5-11H3/b17-16-
InChIKeyUNFPWJIMCPWLHE-MSUUIHNZSA-N
MW304.55 g/mol
LogP6.24
Rot. Bonds3

About [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane

[(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane (PubChem CID 86719927) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane
PubChem CID86719927
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name[(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane
SMILESC=C/C(O[Si](C)(C)C)=C1\C(=C)C(C)(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C19H32OSi/c1-12-16(20-21(9,10)11)17-15(4)18(5,6)13(2)14(3)19(17,7)8/h12H,1,4H2,2-3,5-11H3/b17-16-
InChIKeyUNFPWJIMCPWLHE-MSUUIHNZSA-N
XLogP6.24
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 ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane?
The IUPAC name of [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane (CID 86719927) is [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane?
The canonical SMILES for [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane is C=C/C(O[Si](C)(C)C)=C1\C(=C)C(C)(C)C(C)=C(C)C1(C)C.
What is the InChIKey of [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane?
The InChIKey is UNFPWJIMCPWLHE-MSUUIHNZSA-N. The full InChI is InChI=1S/C19H32OSi/c1-12-16(20-21(9,10)11)17-15(4)18(5,6)13(2)14(3)19(17,7)8/h12H,1,4H2,2-3,5-11H3/b17-16-.
What are the key properties of [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane?
[(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane has a molecular weight of 304.55 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-(2,2,3,4,5,5-hexamethyl-6-methylidenecyclohex-3-en-1-ylidene)prop-2-enoxy]-trimethylsilane is sourced from PubChem (CID 86719927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).