(2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol

C19H36O2Si — CID 11023803

IUPAC(2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol
SMILESCCC(C)CC1=CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\CO
InChIInChI=1S/C19H36O2Si/c1-8-15(2)13-16-9-10-18(14-17(16)11-12-20)21-22(6,7)19(3,4)5/h9,11,15,18,20H,8,10,12-14H2,1-7H3/b17-11+/t15?,18-/m0/s1
InChIKeyPXSZEYZEFKWVPS-FDVPRLLNSA-N
MW324.58 g/mol
LogP5.45
Rot. Bonds6

About (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol

(2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol (PubChem CID 11023803) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol.

Molecular Properties

Compound Name(2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol
PubChem CID11023803
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name(2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol
SMILESCCC(C)CC1=CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\CO
InChIInChI=1S/C19H36O2Si/c1-8-15(2)13-16-9-10-18(14-17(16)11-12-20)21-22(6,7)19(3,4)5/h9,11,15,18,20H,8,10,12-14H2,1-7H3/b17-11+/t15?,18-/m0/s1
InChIKeyPXSZEYZEFKWVPS-FDVPRLLNSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
6-[(3E)-5-(2-dimethylsilylethyl)-7-fluoro-2-hydroxyhepta-1,3-dien-4-yl]-2-fluoro-5-[2-[hydroxy(methyl)silyl]ethyl]cyclohepta-2,5-dien-1-ol
CID 174117157
(1S,2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 11301047
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
3-[(1E,3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-1,3,7-trien-5-ynyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 15489655
3-[(1E,3E,5Z,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 15489656
(E,4S)-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pent-2-en-1-ol
CID 16680394
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(3R,4RS,7R)-1-(tert-Butyldimethylsilyloxy)-3,7,11-trimethyl-10-dodecen-4-ol
CID 23727931
(1E,3E,5R,6S,7R,8R,9S,11E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3,5,7,9,11-pentamethyltrideca-1,3,11-trien-6-ol
CID 24740596
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol?
The IUPAC name of (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol (CID 11023803) is (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol.
What is the SMILES notation for (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol?
The canonical SMILES for (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol is CCC(C)CC1=CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\CO.
What is the InChIKey of (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol?
The InChIKey is PXSZEYZEFKWVPS-FDVPRLLNSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-8-15(2)13-16-9-10-18(14-17(16)11-12-20)21-22(6,7)19(3,4)5/h9,11,15,18,20H,8,10,12-14H2,1-7H3/b17-11+/t15?,18-/m0/s1.
What are the key properties of (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol?
(2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol has a molecular weight of 324.58 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylbutyl)cyclohex-2-en-1-ylidene]ethanol is sourced from PubChem (CID 11023803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).