(5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one

C18H34OSi — CID 175980717

IUPAC(5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one
SMILESCC1C/C=C\CCCCCCCCC(=O)C1[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-16-14-12-10-8-6-5-7-9-11-13-15-17(19)18(16)20(2,3)4/h10,12,16,18H,5-9,11,13-15H2,1-4H3/b12-10-
InChIKeySUMZPOLYJLXJQR-BENRWUELSA-N
MW294.56 g/mol
LogP5.98
Rot. Bonds1

About (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one

(5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one (PubChem CID 175980717) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one.

Molecular Properties

Compound Name(5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one
PubChem CID175980717
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name(5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one
SMILESCC1C/C=C\CCCCCCCCC(=O)C1[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-16-14-12-10-8-6-5-7-9-11-13-15-17(19)18(16)20(2,3)4/h10,12,16,18H,5-9,11,13-15H2,1-4H3/b12-10-
InChIKeySUMZPOLYJLXJQR-BENRWUELSA-N
XLogP5.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one?
The IUPAC name of (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one (CID 175980717) is (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one.
What is the SMILES notation for (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one?
The canonical SMILES for (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one is CC1C/C=C\CCCCCCCCC(=O)C1[Si](C)(C)C.
What is the InChIKey of (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one?
The InChIKey is SUMZPOLYJLXJQR-BENRWUELSA-N. The full InChI is InChI=1S/C18H34OSi/c1-16-14-12-10-8-6-5-7-9-11-13-15-17(19)18(16)20(2,3)4/h10,12,16,18H,5-9,11,13-15H2,1-4H3/b12-10-.
What are the key properties of (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one?
(5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one has a molecular weight of 294.56 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-2-trimethylsilylcyclotetradec-5-en-1-one is sourced from PubChem (CID 175980717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).