[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane

C27H44O2Si — CID 102000908

IUPAC[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane
SMILESC/C=C/C1=C(C(C)(C)C)CC2(COC(C)(C)OC2)C/C1=C\CCCC#C[Si](C)(C)C
InChIInChI=1S/C27H44O2Si/c1-10-15-23-22(16-13-11-12-14-17-30(7,8)9)18-27(19-24(23)25(2,3)4)20-28-26(5,6)29-21-27/h10,15-16H,11-13,18-21H2,1-9H3/b15-10+,22-16+
InChIKeySUCUVLVIGIIHKV-NJLKEKCHSA-N
MW428.73 g/mol
LogP7.45
Rot. Bonds4

About [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane

[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane (PubChem CID 102000908) has the molecular formula C27H44O2Si and a molecular weight of 428.73 g/mol. Its IUPAC name is [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane
PubChem CID102000908
Molecular FormulaC27H44O2Si
Molecular Weight428.73 g/mol
Exact Mass428.31
IUPAC Name[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane
SMILESC/C=C/C1=C(C(C)(C)C)CC2(COC(C)(C)OC2)C/C1=C\CCCC#C[Si](C)(C)C
InChIInChI=1S/C27H44O2Si/c1-10-15-23-22(16-13-11-12-14-17-30(7,8)9)18-27(19-24(23)25(2,3)4)20-28-26(5,6)29-21-27/h10,15-16H,11-13,18-21H2,1-9H3/b15-10+,22-16+
InChIKeySUCUVLVIGIIHKV-NJLKEKCHSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane?
The IUPAC name of [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane (CID 102000908) is [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane?
The canonical SMILES for [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane is C/C=C/C1=C(C(C)(C)C)CC2(COC(C)(C)OC2)C/C1=C\CCCC#C[Si](C)(C)C.
What is the InChIKey of [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane?
The InChIKey is SUCUVLVIGIIHKV-NJLKEKCHSA-N. The full InChI is InChI=1S/C27H44O2Si/c1-10-15-23-22(16-13-11-12-14-17-30(7,8)9)18-27(19-24(23)25(2,3)4)20-28-26(5,6)29-21-27/h10,15-16H,11-13,18-21H2,1-9H3/b15-10+,22-16+.
What are the key properties of [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane?
[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane has a molecular weight of 428.73 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane is sourced from PubChem (CID 102000908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).