(2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol

C20H34O2Si — CID 135068695

IUPAC(2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
SMILESC/C1=C\CC(C)(C)/C=C/C(O)C#CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-16-12-14-20(5,6)15-13-17(21)10-9-11-18(16)22-23(7,8)19(2,3)4/h12-13,15,17-18,21H,11,14H2,1-8H3/b15-13+,16-12+/t17?,18-/m1/s1
InChIKeyDZBRDBPVPFLUGE-ZXOSIVBDSA-N
MW334.58 g/mol
LogP5.06
Rot. Bonds2

About (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol

(2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol (PubChem CID 135068695) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol.

Molecular Properties

Compound Name(2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
PubChem CID135068695
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name(2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
SMILESC/C1=C\CC(C)(C)/C=C/C(O)C#CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-16-12-14-20(5,6)15-13-17(21)10-9-11-18(16)22-23(7,8)19(2,3)4/h12-13,15,17-18,21H,11,14H2,1-8H3/b15-13+,16-12+/t17?,18-/m1/s1
InChIKeyDZBRDBPVPFLUGE-ZXOSIVBDSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-2,7-dien-5-yn-4-ol
CID 10884234
(E,3R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11633537
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11698150
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
(2R,3S,4E,6R,7S,8Z)-3,5,7-trimethyl-2-triethylsilyloxydodeca-4,8-dien-10-yn-6-ol
CID 49836104
(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol
CID 101012128
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-yn-1-ol
CID 134875012
(Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-2-en-1-ol
CID 134952069
(4R)-3,3,6-trimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 134955513
(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol
CID 134974570

Frequently Asked Questions

What is the IUPAC name of (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol?
The IUPAC name of (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol (CID 135068695) is (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol.
What is the SMILES notation for (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol?
The canonical SMILES for (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol is C/C1=C\CC(C)(C)/C=C/C(O)C#CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol?
The InChIKey is DZBRDBPVPFLUGE-ZXOSIVBDSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-16-12-14-20(5,6)15-13-17(21)10-9-11-18(16)22-23(7,8)19(2,3)4/h12-13,15,17-18,21H,11,14H2,1-8H3/b15-13+,16-12+/t17?,18-/m1/s1.
What are the key properties of (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol?
(2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol has a molecular weight of 334.58 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol is sourced from PubChem (CID 135068695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).