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

C24H42O3Si — CID 135028286

IUPACtriethyl-[[(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
SMILESCC=CC(C)[C@@H]1C(C)=C(O[Si](CC)(CC)CC)C(C)=CC12COC(C)(C)OC2
InChIInChI=1S/C24H42O3Si/c1-10-14-18(5)21-20(7)22(27-28(11-2,12-3)13-4)19(6)15-24(21)16-25-23(8,9)26-17-24/h10,14-15,18,21H,11-13,16-17H2,1-9H3/t18?,21-/m1/s1
InChIKeyAKVXPBSDTSTSDY-BDPMCISCSA-N
MW406.68 g/mol
LogP6.84
Rot. Bonds7

About 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

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 (PubChem CID 135028286) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametriethyl-[[(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
PubChem CID135028286
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Nametriethyl-[[(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
SMILESCC=CC(C)[C@@H]1C(C)=C(O[Si](CC)(CC)CC)C(C)=CC12COC(C)(C)OC2
InChIInChI=1S/C24H42O3Si/c1-10-14-18(5)21-20(7)22(27-28(11-2,12-3)13-4)19(6)15-24(21)16-25-23(8,9)26-17-24/h10,14-15,18,21H,11-13,16-17H2,1-9H3/t18?,21-/m1/s1
InChIKeyAKVXPBSDTSTSDY-BDPMCISCSA-N
XLogP6.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-[4-[2-(methoxymethoxy)ethyl]-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 10893131
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
Tert-butyl-[4-[2-(methoxymethoxy)ethyl]-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 10871891
Tert-butyl-[4-(methoxymethoxymethyl)-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11023800
[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-(2,2-dimethyl-1,3-dioxan-5-yl)ethenyl]-1,3-dimethylcyclohexa-2,4-dien-1-yl]methanol
CID 11327302
tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane
CID 11461785
Tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11759561
tert-butyl-[[(1R,5S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane
CID 101185213
Tert-butyl-[2-(2,2-dimethyl-1,3-dioxan-5-yl)-5-methylcyclohexa-1,4-dien-1-yl]oxy-dimethylsilane
CID 102468563
[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC=CC(C)[C@@H]1C(C)=C(O[Si](CC)(CC)CC)C(C)=CC12COC(C)(C)OC2.
What is the InChIKey of 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?
The InChIKey is AKVXPBSDTSTSDY-BDPMCISCSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-10-14-18(5)21-20(7)22(27-28(11-2,12-3)13-4)19(6)15-24(21)16-25-23(8,9)26-17-24/h10,14-15,18,21H,11-13,16-17H2,1-9H3/t18?,21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 406.68 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135028286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).