1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol

C13H26O2Si — CID 13382783

IUPAC1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol
SMILESC[Si](C)(C)/C(=C/CO)C1(O)CCCCCC1
InChIInChI=1S/C13H26O2Si/c1-16(2,3)12(8-11-14)13(15)9-6-4-5-7-10-13/h8,14-15H,4-7,9-11H2,1-3H3/b12-8+
InChIKeyKTSVGGIUAFIISQ-XYOKQWHBSA-N
MW242.43 g/mol
LogP2.87
Rot. Bonds3

About 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol

1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol (PubChem CID 13382783) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol
PubChem CID13382783
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol
SMILESC[Si](C)(C)/C(=C/CO)C1(O)CCCCCC1
InChIInChI=1S/C13H26O2Si/c1-16(2,3)12(8-11-14)13(15)9-6-4-5-7-10-13/h8,14-15H,4-7,9-11H2,1-3H3/b12-8+
InChIKeyKTSVGGIUAFIISQ-XYOKQWHBSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cyclohexan-1-ol
CID 13183200
(E)-4-methyl-3-trimethylsilyldec-2-ene-1,4-diol
CID 13382779
(E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol
CID 13382781
3-[3-[Hydroxy(dimethyl)silyl]-3-methylbutyl]cyclohex-2-en-1-ol
CID 70961148
1-Pentyl-2-trimethylsilylcyclohex-2-en-1-ol
CID 10083030
1-[(1R,2S)-2-ethenyl-2-triethylsilyloxycycloheptyl]-3,4-dimethylpent-3-en-2-ol
CID 11014026

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol?
The IUPAC name of 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol (CID 13382783) is 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol is C[Si](C)(C)/C(=C/CO)C1(O)CCCCCC1.
What is the InChIKey of 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol?
The InChIKey is KTSVGGIUAFIISQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-16(2,3)12(8-11-14)13(15)9-6-4-5-7-10-13/h8,14-15H,4-7,9-11H2,1-3H3/b12-8+.
What are the key properties of 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol?
1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol has a molecular weight of 242.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol is sourced from PubChem (CID 13382783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).