(E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one

C18H32OSi — CID 13212265

IUPAC(E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one
SMILESC[Si](C)(C)/C=C/C(=O)/C1=C/CCCCCCCCCC1
InChIInChI=1S/C18H32OSi/c1-20(2,3)16-15-18(19)17-13-11-9-7-5-4-6-8-10-12-14-17/h13,15-16H,4-12,14H2,1-3H3/b16-15+,17-13+
InChIKeyJVUQOJDPNNWUCS-HPHQGHHHSA-N
MW292.54 g/mol
LogP5.83
Rot. Bonds3

About (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one

(E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one (PubChem CID 13212265) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one
PubChem CID13212265
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name(E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one
SMILESC[Si](C)(C)/C=C/C(=O)/C1=C/CCCCCCCCCC1
InChIInChI=1S/C18H32OSi/c1-20(2,3)16-15-18(19)17-13-11-9-7-5-4-6-8-10-12-14-17/h13,15-16H,4-12,14H2,1-3H3/b16-15+,17-13+
InChIKeyJVUQOJDPNNWUCS-HPHQGHHHSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one?
The IUPAC name of (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one (CID 13212265) is (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one?
The canonical SMILES for (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one is C[Si](C)(C)/C=C/C(=O)/C1=C/CCCCCCCCCC1.
What is the InChIKey of (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one?
The InChIKey is JVUQOJDPNNWUCS-HPHQGHHHSA-N. The full InChI is InChI=1S/C18H32OSi/c1-20(2,3)16-15-18(19)17-13-11-9-7-5-4-6-8-10-12-14-17/h13,15-16H,4-12,14H2,1-3H3/b16-15+,17-13+.
What are the key properties of (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one?
(E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one has a molecular weight of 292.54 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 13212265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).