(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol

C21H36O2Si — CID 134974571

IUPAC(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol
SMILESCCCCCCC/C=C\[C@@H](C#CC#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O2Si/c1-7-8-9-10-11-12-14-17-20(18-15-13-16-19-22)23-24(5,6)21(2,3)4/h14,17,20,22H,7-12,19H2,1-6H3/b17-14-/t20-/m0/s1
InChIKeyXDHCDWWMSVIHLN-PZSQYBTKSA-N
MW348.60 g/mol
LogP5.29
Rot. Bonds9

About (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol

(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol (PubChem CID 134974571) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol.

Molecular Properties

Compound Name(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol
PubChem CID134974571
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol
SMILESCCCCCCC/C=C\[C@@H](C#CC#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O2Si/c1-7-8-9-10-11-12-14-17-20(18-15-13-16-19-22)23-24(5,6)21(2,3)4/h14,17,20,22H,7-12,19H2,1-6H3/b17-14-/t20-/m0/s1
InChIKeyXDHCDWWMSVIHLN-PZSQYBTKSA-N
XLogP5.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

(S,Z)-(Heptadeca-1,9-dien-4,6-diyn-3-yloxy)trimethylsilane
CID 91696433
(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
CID 11111747
[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 24777979
(3R)-12-trimethylsilyldodec-4-en-1-yn-3-ol
CID 91239160
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
tert-butyl-dimethyl-[(Z,2R)-undec-3-en-2-yl]oxysilane
CID 134855917
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-yn-1-ol
CID 134875012
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol
CID 134887156
(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol
CID 134974570
(2E,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxyheptadeca-2,9-dien-4,6-diyn-1-ol
CID 134974572
(2E,6E,8R)-8-[tert-butyl(dimethyl)silyl]oxy-4,4,7-trimethylcycloundeca-2,6-dien-10-yn-1-ol
CID 135068695
(Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol
CID 135074622

Frequently Asked Questions

What is the IUPAC name of (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol?
The IUPAC name of (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol (CID 134974571) is (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol.
What is the SMILES notation for (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol?
The canonical SMILES for (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol is CCCCCCC/C=C\[C@@H](C#CC#CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol?
The InChIKey is XDHCDWWMSVIHLN-PZSQYBTKSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-7-8-9-10-11-12-14-17-20(18-15-13-16-19-22)23-24(5,6)21(2,3)4/h14,17,20,22H,7-12,19H2,1-6H3/b17-14-/t20-/m0/s1.
What are the key properties of (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol?
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol has a molecular weight of 348.60 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol is sourced from PubChem (CID 134974571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).