2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol

C17H28O2Si — CID 134887457

IUPAC2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol
SMILESC/C(C#CC1(O)C(C)CCC[Si]1(C)C)=C\C=C\C(C)O
InChIInChI=1S/C17H28O2Si/c1-14(8-6-10-16(3)18)11-12-17(19)15(2)9-7-13-20(17,4)5/h6,8,10,15-16,18-19H,7,9,13H2,1-5H3/b10-6+,14-8+
InChIKeyNXQHVZWPXFBDCV-FGEXGLGOSA-N
MW292.50 g/mol
LogP3.28
Rot. Bonds2

About 2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol

2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol (PubChem CID 134887457) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is 2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol.

Molecular Properties

Compound Name2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol
PubChem CID134887457
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol
SMILESC/C(C#CC1(O)C(C)CCC[Si]1(C)C)=C\C=C\C(C)O
InChIInChI=1S/C17H28O2Si/c1-14(8-6-10-16(3)18)11-12-17(19)15(2)9-7-13-20(17,4)5/h6,8,10,15-16,18-19H,7,9,13H2,1-5H3/b10-6+,14-8+
InChIKeyNXQHVZWPXFBDCV-FGEXGLGOSA-N
XLogP3.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol?
The IUPAC name of 2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol (CID 134887457) is 2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol.
What is the SMILES notation for 2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol?
The canonical SMILES for 2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol is C/C(C#CC1(O)C(C)CCC[Si]1(C)C)=C\C=C\C(C)O.
What is the InChIKey of 2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol?
The InChIKey is NXQHVZWPXFBDCV-FGEXGLGOSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-14(8-6-10-16(3)18)11-12-17(19)15(2)9-7-13-20(17,4)5/h6,8,10,15-16,18-19H,7,9,13H2,1-5H3/b10-6+,14-8+.
What are the key properties of 2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol?
2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol has a molecular weight of 292.50 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5E)-7-hydroxy-3-methylocta-3,5-dien-1-ynyl]-1,1,3-trimethylsilinan-2-ol is sourced from PubChem (CID 134887457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).