[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane

C22H38O2Si — CID 134899915

IUPAC[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane
SMILESC/C=C/C1=C(C(C)(C)C)CC2(C=C1C[Si](C)(C)C)COC(C)(C)OC2
InChIInChI=1S/C22H38O2Si/c1-10-11-18-17(14-25(7,8)9)12-22(13-19(18)20(2,3)4)15-23-21(5,6)24-16-22/h10-12H,13-16H2,1-9H3/b11-10+
InChIKeyQGSHMANIXUGAOV-ZHACJKMWSA-N
MW362.63 g/mol
LogP6.34
Rot. Bonds3

About [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane

[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane (PubChem CID 134899915) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane
PubChem CID134899915
Molecular FormulaC22H38O2Si
Molecular Weight362.63 g/mol
Exact Mass362.26
IUPAC Name[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane
SMILESC/C=C/C1=C(C(C)(C)C)CC2(C=C1C[Si](C)(C)C)COC(C)(C)OC2
InChIInChI=1S/C22H38O2Si/c1-10-11-18-17(14-25(7,8)9)12-22(13-19(18)20(2,3)4)15-23-21(5,6)24-16-22/h10-12H,13-16H2,1-9H3/b11-10+
InChIKeyQGSHMANIXUGAOV-ZHACJKMWSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 11069704
CID 11069704
[(E)-[10-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]methyl]-trimethylsilane
CID 134899913
CID 134899914
CID 134899914
triethyl-[[(11S)-3,3,8,10-tetramethyl-11-[(E)-pent-3-en-2-yl]-2,4-dioxaspiro[5.5]undeca-7,9-dien-9-yl]oxy]silane
CID 134945438
triethyl-[[(11S)-3,3,8,10-tetramethyl-11-pent-3-en-2-yl-2,4-dioxaspiro[5.5]undeca-7,9-dien-9-yl]oxy]silane
CID 135028286
8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene
CID 11069705
[(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
[(6E)-6-[10-tert-butyl-3,3-dimethyl-9-[(Z)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-en-8-ylidene]hex-1-ynyl]-trimethylsilane
CID 102000909
[(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane
CID 177479163

Frequently Asked Questions

What is the IUPAC name of [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane?
The IUPAC name of [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane (CID 134899915) is [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane.
What is the SMILES notation for [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane?
The canonical SMILES for [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane is C/C=C/C1=C(C(C)(C)C)CC2(C=C1C[Si](C)(C)C)COC(C)(C)OC2.
What is the InChIKey of [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane?
The InChIKey is QGSHMANIXUGAOV-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-10-11-18-17(14-25(7,8)9)12-22(13-19(18)20(2,3)4)15-23-21(5,6)24-16-22/h10-12H,13-16H2,1-9H3/b11-10+.
What are the key properties of [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane?
[8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane has a molecular weight of 362.63 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-tert-butyl-3,3-dimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-dien-10-yl]methyl-trimethylsilane is sourced from PubChem (CID 134899915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).