5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol

C14H24OSi — CID 10514010

IUPAC5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol
SMILESC=CCCC(O)(C#C[Si](C)(C)C)CCC=C
InChIInChI=1S/C14H24OSi/c1-6-8-10-14(15,11-9-7-2)12-13-16(3,4)5/h6-7,15H,1-2,8-11H2,3-5H3
InChIKeyGMNNNQBNWDNWOE-UHFFFAOYSA-N
MW236.43 g/mol
LogP3.53
Rot. Bonds6

About 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol

5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol (PubChem CID 10514010) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol.

Molecular Properties

Compound Name5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol
PubChem CID10514010
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol
SMILESC=CCCC(O)(C#C[Si](C)(C)C)CCC=C
InChIInChI=1S/C14H24OSi/c1-6-8-10-14(15,11-9-7-2)12-13-16(3,4)5/h6-7,15H,1-2,8-11H2,3-5H3
InChIKeyGMNNNQBNWDNWOE-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol?
The IUPAC name of 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol (CID 10514010) is 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol.
What is the SMILES notation for 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol?
The canonical SMILES for 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol is C=CCCC(O)(C#C[Si](C)(C)C)CCC=C.
What is the InChIKey of 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol?
The InChIKey is GMNNNQBNWDNWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-6-8-10-14(15,11-9-7-2)12-13-16(3,4)5/h6-7,15H,1-2,8-11H2,3-5H3.
What are the key properties of 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol?
5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol has a molecular weight of 236.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-trimethylsilylethynyl)nona-1,8-dien-5-ol is sourced from PubChem (CID 10514010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).