4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol

C20H34O2Si2 — CID 100930652

IUPAC4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol
SMILESC=CCC(O)(CC=C)C(O)(CC#C[Si](C)(C)C)CC#C[Si](C)(C)C
InChIInChI=1S/C20H34O2Si2/c1-9-13-19(21,14-10-2)20(22,15-11-17-23(3,4)5)16-12-18-24(6,7)8/h9-10,21-22H,1-2,13-16H2,3-8H3
InChIKeyNREIUQBKDSNLHY-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.14
Rot. Bonds7

About 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol

4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol (PubChem CID 100930652) has the molecular formula C20H34O2Si2 and a molecular weight of 362.66 g/mol. Its IUPAC name is 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol.

Molecular Properties

Compound Name4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol
PubChem CID100930652
Molecular FormulaC20H34O2Si2
Molecular Weight362.66 g/mol
Exact Mass362.21
IUPAC Name4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol
SMILESC=CCC(O)(CC=C)C(O)(CC#C[Si](C)(C)C)CC#C[Si](C)(C)C
InChIInChI=1S/C20H34O2Si2/c1-9-13-19(21,14-10-2)20(22,15-11-17-23(3,4)5)16-12-18-24(6,7)8/h9-10,21-22H,1-2,13-16H2,3-8H3
InChIKeyNREIUQBKDSNLHY-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.14
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol?
The IUPAC name of 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol (CID 100930652) is 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol.
What is the SMILES notation for 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol?
The canonical SMILES for 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol is C=CCC(O)(CC=C)C(O)(CC#C[Si](C)(C)C)CC#C[Si](C)(C)C.
What is the InChIKey of 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol?
The InChIKey is NREIUQBKDSNLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2Si2/c1-9-13-19(21,14-10-2)20(22,15-11-17-23(3,4)5)16-12-18-24(6,7)8/h9-10,21-22H,1-2,13-16H2,3-8H3.
What are the key properties of 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol?
4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol has a molecular weight of 362.66 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol is sourced from PubChem (CID 100930652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).