(4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane

C20H36O3Si — CID 101073952

IUPAC(4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane
SMILESC=CC[C@]1(C)OC(C)(C)O[C@@H](C)[C@]12O[Si](C)(C)C/C2=C\C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-11-12-19(8)20(15(2)21-18(6,7)22-19)16(13-17(3,4)5)14-24(9,10)23-20/h11,13,15H,1,12,14H2,2-10H3/b16-13+/t15-,19-,20+/m0/s1
InChIKeyJLRSDFVVKPGXRV-LMPCMYQISA-N
MW352.59 g/mol
LogP5.44
Rot. Bonds2

About (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane

(4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane (PubChem CID 101073952) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane.

Molecular Properties

Compound Name(4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane
PubChem CID101073952
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name(4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane
SMILESC=CC[C@]1(C)OC(C)(C)O[C@@H](C)[C@]12O[Si](C)(C)C/C2=C\C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-11-12-19(8)20(15(2)21-18(6,7)22-19)16(13-17(3,4)5)14-24(9,10)23-20/h11,13,15H,1,12,14H2,2-10H3/b16-13+/t15-,19-,20+/m0/s1
InChIKeyJLRSDFVVKPGXRV-LMPCMYQISA-N
XLogP5.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.44
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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Frequently Asked Questions

What is the IUPAC name of (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane?
The IUPAC name of (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane (CID 101073952) is (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane.
What is the SMILES notation for (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane?
The canonical SMILES for (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane is C=CC[C@]1(C)OC(C)(C)O[C@@H](C)[C@]12O[Si](C)(C)C/C2=C\C(C)(C)C.
What is the InChIKey of (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane?
The InChIKey is JLRSDFVVKPGXRV-LMPCMYQISA-N. The full InChI is InChI=1S/C20H36O3Si/c1-11-12-19(8)20(15(2)21-18(6,7)22-19)16(13-17(3,4)5)14-24(9,10)23-20/h11,13,15H,1,12,14H2,2-10H3/b16-13+/t15-,19-,20+/m0/s1.
What are the key properties of (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane?
(4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane has a molecular weight of 352.59 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5S,6S,10S)-4-(2,2-dimethylpropylidene)-2,2,6,8,8,10-hexamethyl-6-prop-2-enyl-1,7,9-trioxa-2-silaspiro[4.5]decane is sourced from PubChem (CID 101073952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).