(6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol

C16H28O2Si — CID 91090317

IUPAC(6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol
SMILESCCCCC[C@H](O)[C@H](O)C=CC=CC#C[Si](C)(C)C
InChIInChI=1S/C16H28O2Si/c1-5-6-9-12-15(17)16(18)13-10-7-8-11-14-19(2,3)4/h7-8,10,13,15-18H,5-6,9,12H2,1-4H3/t15-,16+/m0/s1
InChIKeyRVPBIXNHYIBKRR-JKSUJKDBSA-N
MW280.48 g/mol
LogP3.28
Rot. Bonds7

About (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol

(6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol (PubChem CID 91090317) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol.

Molecular Properties

Compound Name(6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol
PubChem CID91090317
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol
SMILESCCCCC[C@H](O)[C@H](O)C=CC=CC#C[Si](C)(C)C
InChIInChI=1S/C16H28O2Si/c1-5-6-9-12-15(17)16(18)13-10-7-8-11-14-19(2,3)4/h7-8,10,13,15-18H,5-6,9,12H2,1-4H3/t15-,16+/m0/s1
InChIKeyRVPBIXNHYIBKRR-JKSUJKDBSA-N
XLogP3.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.28
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 (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol?
The IUPAC name of (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol (CID 91090317) is (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol.
What is the SMILES notation for (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol?
The canonical SMILES for (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol is CCCCC[C@H](O)[C@H](O)C=CC=CC#C[Si](C)(C)C.
What is the InChIKey of (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol?
The InChIKey is RVPBIXNHYIBKRR-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-5-6-9-12-15(17)16(18)13-10-7-8-11-14-19(2,3)4/h7-8,10,13,15-18H,5-6,9,12H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol?
(6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol has a molecular weight of 280.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-13-trimethylsilyltrideca-8,10-dien-12-yne-6,7-diol is sourced from PubChem (CID 91090317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).