2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol

C26H43FOSi — CID 10693360

IUPAC2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol
SMILESCC1=C(CC/C(C)=C/CC/C(F)=C(\C)CCCC#CC[Si](C)(C)C)C(C)(O)CC1
InChIInChI=1S/C26H43FOSi/c1-21(16-17-24-22(2)18-19-26(24,4)28)13-12-15-25(27)23(3)14-10-8-9-11-20-29(5,6)7/h13,28H,8,10,12,14-20H2,1-7H3/b21-13+,25-23-
InChIKeyYOZFQQIPIPFKQF-RRJMXWIWSA-N
MW418.71 g/mol
LogP8.11
Rot. Bonds10

About 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol

2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol (PubChem CID 10693360) has the molecular formula C26H43FOSi and a molecular weight of 418.71 g/mol. Its IUPAC name is 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol
PubChem CID10693360
Molecular FormulaC26H43FOSi
Molecular Weight418.71 g/mol
Exact Mass418.31
IUPAC Name2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol
SMILESCC1=C(CC/C(C)=C/CC/C(F)=C(\C)CCCC#CC[Si](C)(C)C)C(C)(O)CC1
InChIInChI=1S/C26H43FOSi/c1-21(16-17-24-22(2)18-19-26(24,4)28)13-12-15-25(27)23(3)14-10-8-9-11-20-29(5,6)7/h13,28H,8,10,12,14-20H2,1-7H3/b21-13+,25-23-
InChIKeyYOZFQQIPIPFKQF-RRJMXWIWSA-N
XLogP8.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.71
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol?
The IUPAC name of 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol (CID 10693360) is 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol?
The canonical SMILES for 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol is CC1=C(CC/C(C)=C/CC/C(F)=C(\C)CCCC#CC[Si](C)(C)C)C(C)(O)CC1.
What is the InChIKey of 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol?
The InChIKey is YOZFQQIPIPFKQF-RRJMXWIWSA-N. The full InChI is InChI=1S/C26H43FOSi/c1-21(16-17-24-22(2)18-19-26(24,4)28)13-12-15-25(27)23(3)14-10-8-9-11-20-29(5,6)7/h13,28H,8,10,12,14-20H2,1-7H3/b21-13+,25-23-.
What are the key properties of 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol?
2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol has a molecular weight of 418.71 g/mol, XLogP of 8.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,7Z)-7-fluoro-3,8-dimethyl-14-trimethylsilyltetradeca-3,7-dien-12-ynyl]-1,3-dimethylcyclopent-2-en-1-ol is sourced from PubChem (CID 10693360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).