(E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one

C14H24OSi — CID 642529

IUPAC(E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one
SMILESCC1=C(C(=O)/C=C/[Si](C)(C)C)C(C)(C)CC1
InChIInChI=1S/C14H24OSi/c1-11-7-9-14(2,3)13(11)12(15)8-10-16(4,5)6/h8,10H,7,9H2,1-6H3/b10-8+
InChIKeyAYXWEPWDBVGDMF-CSKARUKUSA-N
MW236.43 g/mol
LogP4.13
Rot. Bonds3

About (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one

(E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one (PubChem CID 642529) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one
PubChem CID642529
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name(E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one
SMILESCC1=C(C(=O)/C=C/[Si](C)(C)C)C(C)(C)CC1
InChIInChI=1S/C14H24OSi/c1-11-7-9-14(2,3)13(11)12(15)8-10-16(4,5)6/h8,10H,7,9H2,1-6H3/b10-8+
InChIKeyAYXWEPWDBVGDMF-CSKARUKUSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 54.13
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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Related Compounds

4-Methyl-4-propyl-2-cyclohexen-1-one
CID 317676
(E)-1-(cyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one
CID 12935868
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-one
CID 12935869
(E)-1-(cyclohepten-1-yl)-3-trimethylsilylprop-2-en-1-one
CID 12935875
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-propen-1-one
CID 11030388
1-(4,4-Dimethylcyclopenten-1-yl)pent-4-en-1-one
CID 20509714
(E)-1-spiro[4.5]dec-9-en-10-ylbut-2-en-1-one
CID 68723331
(E)-1-(Spiro[4.5]deca-2,6-dien-6-yl)but-2-en-1-one
CID 68725039
1-(Spiro[4.5]dec-6-en-6-yl)ethanone
CID 68725898
1-(Spiro[4.5]deca-2,6-dien-6-yl)ethanone
CID 68726783
(2Z)-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethylidene)cyclopentan-1-one
CID 10956785
3,4-Dimethyl-4-(5-trimethylsilylpent-3-ynyl)cyclohex-2-en-1-one
CID 11108154

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one?
The IUPAC name of (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one (CID 642529) is (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one is CC1=C(C(=O)/C=C/[Si](C)(C)C)C(C)(C)CC1.
What is the InChIKey of (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one?
The InChIKey is AYXWEPWDBVGDMF-CSKARUKUSA-N. The full InChI is InChI=1S/C14H24OSi/c1-11-7-9-14(2,3)13(11)12(15)8-10-16(4,5)6/h8,10H,7,9H2,1-6H3/b10-8+.
What are the key properties of (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one?
(E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one has a molecular weight of 236.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,5,5-trimethylcyclopenten-1-yl)-3-trimethylsilylprop-2-en-1-one is sourced from PubChem (CID 642529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).