(1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol

C8H18O2Si — CID 88558827

IUPAC(1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol
SMILESC=C[C@@H](O)C[C@@H](O)[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-5-7(9)6-8(10)11(2,3)4/h5,7-10H,1,6H2,2-4H3/t7-,8+/m1/s1
InChIKeyQFNYYQDOWJOSPY-SFYZADRCSA-N
MW174.32 g/mol
LogP1.16
Rot. Bonds4

About (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol

(1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol (PubChem CID 88558827) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol.

Molecular Properties

Compound Name(1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol
PubChem CID88558827
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Name(1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol
SMILESC=C[C@@H](O)C[C@@H](O)[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-5-7(9)6-8(10)11(2,3)4/h5,7-10H,1,6H2,2-4H3/t7-,8+/m1/s1
InChIKeyQFNYYQDOWJOSPY-SFYZADRCSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol?
The IUPAC name of (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol (CID 88558827) is (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol.
What is the SMILES notation for (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol?
The canonical SMILES for (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol is C=C[C@@H](O)C[C@@H](O)[Si](C)(C)C.
What is the InChIKey of (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol?
The InChIKey is QFNYYQDOWJOSPY-SFYZADRCSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-5-7(9)6-8(10)11(2,3)4/h5,7-10H,1,6H2,2-4H3/t7-,8+/m1/s1.
What are the key properties of (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol?
(1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol has a molecular weight of 174.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-1-trimethylsilylpent-4-ene-1,3-diol is sourced from PubChem (CID 88558827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).