(E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol

C13H28O2Si — CID 13382781

IUPAC(E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol
SMILESCCCC(O)(CCC)/C(=C\CO)[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-6-9-13(15,10-7-2)12(8-11-14)16(3,4)5/h8,14-15H,6-7,9-11H2,1-5H3/b12-8+
InChIKeyDWXZRAWPQKUQAZ-XYOKQWHBSA-N
MW244.45 g/mol
LogP3.11
Rot. Bonds7

About (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol

(E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol (PubChem CID 13382781) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol
PubChem CID13382781
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol
SMILESCCCC(O)(CCC)/C(=C\CO)[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-6-9-13(15,10-7-2)12(8-11-14)16(3,4)5/h8,14-15H,6-7,9-11H2,1-5H3/b12-8+
InChIKeyDWXZRAWPQKUQAZ-XYOKQWHBSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.11
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

(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268
(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
CID 11709440
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
1-[(E)-3-hydroxy-1-trimethylsilylprop-1-enyl]cycloheptan-1-ol
CID 13382783
1-(4-Hydroxypent-2-ynyl)-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 85618202
(Z)-4-propylhept-2-ene-1,4-diol
CID 134978717
(Z)-2-methyl-5-methylidynesilyldodec-5-en-4-ol
CID 20765075
2-Methyl-5-methylidynesilyldodec-5-en-4-ol
CID 59990261
CID 60070546
CID 60070546
4-[Tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-en-1-ol
CID 150371116
(Z)-4-ethyl-3-triethylsilylhex-2-ene-1,4-diol
CID 11821285

Frequently Asked Questions

What is the IUPAC name of (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol?
The IUPAC name of (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol (CID 13382781) is (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol.
What is the SMILES notation for (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol?
The canonical SMILES for (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol is CCCC(O)(CCC)/C(=C\CO)[Si](C)(C)C.
What is the InChIKey of (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol?
The InChIKey is DWXZRAWPQKUQAZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-6-9-13(15,10-7-2)12(8-11-14)16(3,4)5/h8,14-15H,6-7,9-11H2,1-5H3/b12-8+.
What are the key properties of (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol?
(E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol has a molecular weight of 244.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-propyl-3-trimethylsilylhept-2-ene-1,4-diol is sourced from PubChem (CID 13382781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).