(5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol

C19H32O2Si — CID 58461666

IUPAC(5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol
SMILESC[C@@H](/C=C/C=C/C=C\[C@@H](O)CCCCO)CC#C[Si](C)(C)C
InChIInChI=1S/C19H32O2Si/c1-18(13-11-17-22(2,3)4)12-7-5-6-8-14-19(21)15-9-10-16-20/h5-8,12,14,18-21H,9-10,13,15-16H2,1-4H3/b6-5+,12-7+,14-8-/t18-,19+/m0/s1
InChIKeyQDPVPMIWWPLCON-TUAWHBKKSA-N
MW320.55 g/mol
LogP4.09
Rot. Bonds9

About (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol

(5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol (PubChem CID 58461666) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol.

Molecular Properties

Compound Name(5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol
PubChem CID58461666
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Name(5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol
SMILESC[C@@H](/C=C/C=C/C=C\[C@@H](O)CCCCO)CC#C[Si](C)(C)C
InChIInChI=1S/C19H32O2Si/c1-18(13-11-17-22(2,3)4)12-7-5-6-8-14-19(21)15-9-10-16-20/h5-8,12,14,18-21H,9-10,13,15-16H2,1-4H3/b6-5+,12-7+,14-8-/t18-,19+/m0/s1
InChIKeyQDPVPMIWWPLCON-TUAWHBKKSA-N
XLogP4.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol?
The IUPAC name of (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol (CID 58461666) is (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol.
What is the SMILES notation for (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol?
The canonical SMILES for (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol is C[C@@H](/C=C/C=C/C=C\[C@@H](O)CCCCO)CC#C[Si](C)(C)C.
What is the InChIKey of (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol?
The InChIKey is QDPVPMIWWPLCON-TUAWHBKKSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-18(13-11-17-22(2,3)4)12-7-5-6-8-14-19(21)15-9-10-16-20/h5-8,12,14,18-21H,9-10,13,15-16H2,1-4H3/b6-5+,12-7+,14-8-/t18-,19+/m0/s1.
What are the key properties of (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol?
(5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol has a molecular weight of 320.55 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6Z,8E,10E,12R)-12-methyl-15-trimethylsilylpentadeca-6,8,10-trien-14-yne-1,5-diol is sourced from PubChem (CID 58461666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).