(6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol

C22H36OSi — CID 15778100

IUPAC(6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
SMILESC=CCCCCC=C=C[C@@H](O)[C@](C#CC)(CCCC=C)[Si](C)(C)C
InChIInChI=1S/C22H36OSi/c1-7-10-12-13-14-15-16-18-21(23)22(19-9-3,24(4,5)6)20-17-11-8-2/h7-8,15,18,21,23H,1-2,10-14,17,20H2,3-6H3/t16?,21-,22+/m1/s1
InChIKeyMDKMOIAHOMQGDR-JLYBBMSXSA-N
MW344.62 g/mol
LogP6.26
Rot. Bonds12

About (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol

(6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol (PubChem CID 15778100) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol.

Molecular Properties

Compound Name(6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
PubChem CID15778100
Molecular FormulaC22H36OSi
Molecular Weight344.62 g/mol
Exact Mass344.25
IUPAC Name(6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol
SMILESC=CCCCCC=C=C[C@@H](O)[C@](C#CC)(CCCC=C)[Si](C)(C)C
InChIInChI=1S/C22H36OSi/c1-7-10-12-13-14-15-16-18-21(23)22(19-9-3,24(4,5)6)20-17-11-8-2/h7-8,15,18,21,23H,1-2,10-14,17,20H2,3-6H3/t16?,21-,22+/m1/s1
InChIKeyMDKMOIAHOMQGDR-JLYBBMSXSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 56.26
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 (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol?
The IUPAC name of (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol (CID 15778100) is (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol.
What is the SMILES notation for (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol?
The canonical SMILES for (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol is C=CCCCCC=C=C[C@@H](O)[C@](C#CC)(CCCC=C)[Si](C)(C)C.
What is the InChIKey of (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol?
The InChIKey is MDKMOIAHOMQGDR-JLYBBMSXSA-N. The full InChI is InChI=1S/C22H36OSi/c1-7-10-12-13-14-15-16-18-21(23)22(19-9-3,24(4,5)6)20-17-11-8-2/h7-8,15,18,21,23H,1-2,10-14,17,20H2,3-6H3/t16?,21-,22+/m1/s1.
What are the key properties of (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol?
(6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol has a molecular weight of 344.62 g/mol, XLogP of 6.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6-prop-1-ynyl-6-trimethylsilylhexadeca-1,8,9,15-tetraen-7-ol is sourced from PubChem (CID 15778100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).