(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol

C19H30O2Si — CID 134974570

IUPAC(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol
SMILESC=C[C@@H](O)C#CC#C[C@H](/C=C\CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O2Si/c1-8-10-11-15-18(16-13-12-14-17(20)9-2)21-22(6,7)19(3,4)5/h9,11,15,17-18,20H,2,8,10H2,1,3-7H3/b15-11-/t17-,18+/m1/s1
InChIKeyXAASSBDWRYVLRO-FXIGXVRNSA-N
MW318.53 g/mol
LogP4.29
Rot. Bonds6

About (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol

(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol (PubChem CID 134974570) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol.

Molecular Properties

Compound Name(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol
PubChem CID134974570
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Name(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol
SMILESC=C[C@@H](O)C#CC#C[C@H](/C=C\CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30O2Si/c1-8-10-11-15-18(16-13-12-14-17(20)9-2)21-22(6,7)19(3,4)5/h9,11,15,17-18,20H,2,8,10H2,1,3-7H3/b15-11-/t17-,18+/m1/s1
InChIKeyXAASSBDWRYVLRO-FXIGXVRNSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.29
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

(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-en-1-ol
CID 10489670
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4-fluorohept-4-en-1-yn-3-ol
CID 20063419
7-(Tert-butyldimethylsilyloxy)-4-fluoro-3-hydroxy-4-hepten-1-yne
CID 53888854
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 11355705
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol
CID 101012128

Frequently Asked Questions

What is the IUPAC name of (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol?
The IUPAC name of (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol (CID 134974570) is (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol.
What is the SMILES notation for (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol?
The canonical SMILES for (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol is C=C[C@@H](O)C#CC#C[C@H](/C=C\CCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol?
The InChIKey is XAASSBDWRYVLRO-FXIGXVRNSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-8-10-11-15-18(16-13-12-14-17(20)9-2)21-22(6,7)19(3,4)5/h9,11,15,17-18,20H,2,8,10H2,1,3-7H3/b15-11-/t17-,18+/m1/s1.
What are the key properties of (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol?
(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol has a molecular weight of 318.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol is sourced from PubChem (CID 134974570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).