(4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol

C18H36OSi — CID 15013192

IUPAC(4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol
SMILESC=CC(O)/C(=C/[Si](C)(C)C)CCCCCCCCCC
InChIInChI=1S/C18H36OSi/c1-6-8-9-10-11-12-13-14-15-17(18(19)7-2)16-20(3,4)5/h7,16,18-19H,2,6,8-15H2,1,3-5H3/b17-16+
InChIKeyUGXLPRZHMQYOMP-WUKNDPDISA-N
MW296.57 g/mol
LogP5.87
Rot. Bonds12

About (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol

(4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol (PubChem CID 15013192) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol.

Molecular Properties

Compound Name(4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol
PubChem CID15013192
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name(4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol
SMILESC=CC(O)/C(=C/[Si](C)(C)C)CCCCCCCCCC
InChIInChI=1S/C18H36OSi/c1-6-8-9-10-11-12-13-14-15-17(18(19)7-2)16-20(3,4)5/h7,16,18-19H,2,6,8-15H2,1,3-5H3/b17-16+
InChIKeyUGXLPRZHMQYOMP-WUKNDPDISA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol?
The IUPAC name of (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol (CID 15013192) is (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol.
What is the SMILES notation for (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol?
The canonical SMILES for (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol is C=CC(O)/C(=C/[Si](C)(C)C)CCCCCCCCCC.
What is the InChIKey of (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol?
The InChIKey is UGXLPRZHMQYOMP-WUKNDPDISA-N. The full InChI is InChI=1S/C18H36OSi/c1-6-8-9-10-11-12-13-14-15-17(18(19)7-2)16-20(3,4)5/h7,16,18-19H,2,6,8-15H2,1,3-5H3/b17-16+.
What are the key properties of (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol?
(4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol has a molecular weight of 296.57 g/mol, XLogP of 5.87, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(trimethylsilylmethylidene)tetradec-1-en-3-ol is sourced from PubChem (CID 15013192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).