(5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol

C21H34OSi — CID 10449336

IUPAC(5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol
SMILESC=CCCCCC=C=C[C@@H](O)[C@](C#CC)(CCC=C)[Si](C)(C)C
InChIInChI=1S/C21H34OSi/c1-7-10-12-13-14-15-16-17-20(22)21(18-9-3,19-11-8-2)23(4,5)6/h7-8,15,17,20,22H,1-2,10-14,19H2,3-6H3/t16?,20-,21+/m1/s1
InChIKeyUHJYFEZPQOIKPM-XHEPWMPHSA-N
MW330.59 g/mol
LogP5.87
Rot. Bonds11

About (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol

(5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol (PubChem CID 10449336) has the molecular formula C21H34OSi and a molecular weight of 330.59 g/mol. Its IUPAC name is (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol.

Molecular Properties

Compound Name(5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol
PubChem CID10449336
Molecular FormulaC21H34OSi
Molecular Weight330.59 g/mol
Exact Mass330.24
IUPAC Name(5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol
SMILESC=CCCCCC=C=C[C@@H](O)[C@](C#CC)(CCC=C)[Si](C)(C)C
InChIInChI=1S/C21H34OSi/c1-7-10-12-13-14-15-16-17-20(22)21(18-9-3,19-11-8-2)23(4,5)6/h7-8,15,17,20,22H,1-2,10-14,19H2,3-6H3/t16?,20-,21+/m1/s1
InChIKeyUHJYFEZPQOIKPM-XHEPWMPHSA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol?
The IUPAC name of (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol (CID 10449336) is (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol.
What is the SMILES notation for (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol?
The canonical SMILES for (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol is C=CCCCCC=C=C[C@@H](O)[C@](C#CC)(CCC=C)[Si](C)(C)C.
What is the InChIKey of (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol?
The InChIKey is UHJYFEZPQOIKPM-XHEPWMPHSA-N. The full InChI is InChI=1S/C21H34OSi/c1-7-10-12-13-14-15-16-17-20(22)21(18-9-3,19-11-8-2)23(4,5)6/h7-8,15,17,20,22H,1-2,10-14,19H2,3-6H3/t16?,20-,21+/m1/s1.
What are the key properties of (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol?
(5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol has a molecular weight of 330.59 g/mol, XLogP of 5.87, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-prop-1-ynyl-5-trimethylsilylpentadeca-1,7,8,14-tetraen-6-ol is sourced from PubChem (CID 10449336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).