(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one

C20H34O2Si — CID 13073165

IUPAC(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESC=C1/C=C/[C@H](C(C)C)CC(O[Si](C)(C)C(C)(C)C)C(=O)/C=C\C1
InChIInChI=1S/C20H34O2Si/c1-15(2)17-13-12-16(3)10-9-11-18(21)19(14-17)22-23(7,8)20(4,5)6/h9,11-13,15,17,19H,3,10,14H2,1-2,4-8H3/b11-9-,13-12+/t17-,19?/m0/s1
InChIKeyLHJUBGUAECMLOI-TUWYMEKPSA-N
MW334.58 g/mol
LogP5.68
Rot. Bonds3

About (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one

(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one (PubChem CID 13073165) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one.

Molecular Properties

Compound Name(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one
PubChem CID13073165
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESC=C1/C=C/[C@H](C(C)C)CC(O[Si](C)(C)C(C)(C)C)C(=O)/C=C\C1
InChIInChI=1S/C20H34O2Si/c1-15(2)17-13-12-16(3)10-9-11-18(21)19(14-17)22-23(7,8)20(4,5)6/h9,11-13,15,17,19H,3,10,14H2,1-2,4-8H3/b11-9-,13-12+/t17-,19?/m0/s1
InChIKeyLHJUBGUAECMLOI-TUWYMEKPSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.68
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

(1S,3E,8E,10E)-1-cyclohexyl-12-methyl-1-triethylsilyloxytrideca-3,8,10-trien-2-one
CID 13186568
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal
CID 24886641
(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal
CID 135015019
(2Z,6Z)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 20164362
(2Z,6Z)-8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
CID 20164372
(E)-1-[4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]oct-1-en-3-one
CID 22150765
1-[4-(t-Butyldimethylsilyl)oxy-2,6,6-Trimethylcyclohex-1-enyl]Oct-1-en-3-one
CID 54045368
8-Propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
CID 57305973
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 70433943
(4S,5E)-4-[(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one
CID 140749976
(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyheptylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 155765645
(2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 173406970

Frequently Asked Questions

What is the IUPAC name of (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The IUPAC name of (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one (CID 13073165) is (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one.
What is the SMILES notation for (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The canonical SMILES for (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one is C=C1/C=C/[C@H](C(C)C)CC(O[Si](C)(C)C(C)(C)C)C(=O)/C=C\C1.
What is the InChIKey of (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The InChIKey is LHJUBGUAECMLOI-TUWYMEKPSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-15(2)17-13-12-16(3)10-9-11-18(21)19(14-17)22-23(7,8)20(4,5)6/h9,11-13,15,17,19H,3,10,14H2,1-2,4-8H3/b11-9-,13-12+/t17-,19?/m0/s1.
What are the key properties of (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one?
(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one has a molecular weight of 334.58 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one is sourced from PubChem (CID 13073165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).