(3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one

C11H22O2Si — CID 20765115

IUPAC(3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one
SMILESCC(=O)/C(=C/[Si](C)(C)C)CCCCO
InChIInChI=1S/C11H22O2Si/c1-10(13)11(7-5-6-8-12)9-14(2,3)4/h9,12H,5-8H2,1-4H3/b11-9+
InChIKeyKXFCXPDTIASWCF-PKNBQFBNSA-N
MW214.38 g/mol
LogP2.54
Rot. Bonds6

About (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one

(3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one (PubChem CID 20765115) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one.

Molecular Properties

Compound Name(3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one
PubChem CID20765115
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one
SMILESCC(=O)/C(=C/[Si](C)(C)C)CCCCO
InChIInChI=1S/C11H22O2Si/c1-10(13)11(7-5-6-8-12)9-14(2,3)4/h9,12H,5-8H2,1-4H3/b11-9+
InChIKeyKXFCXPDTIASWCF-PKNBQFBNSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methacryloyl-3-oxy-propyl trimethoxysilane
CID 129713711
13-Hydroxy-2-methyltridec-1-en-3-one
CID 18419769
(3E)-6-hydroxy-3-(trimethylsilylmethylidene)hexan-2-one
CID 20765111
15-Hydroxy-2-methylpentadec-1-en-3-one
CID 58592328
6-Hydroxy-3-(trimethylsilylmethylidene)hexan-2-one
CID 73705627
7-Hydroxy-3-(trimethylsilylmethylidene)heptan-2-one
CID 73705628
8-Hydroxy-3-methylideneoctan-2-one
CID 91384190
1-Hydroxy-4-methylideneheptan-3-one;molecular hydrogen
CID 144829404
7-(Methoxy-methyl-propylsilyl)oxy-2-methylhept-1-en-3-one
CID 150115965
(10S)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-5-one
CID 102024370
8-Hydroxy-2-methyloct-1-en-3-one
CID 149971859

Frequently Asked Questions

What is the IUPAC name of (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one?
The IUPAC name of (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one (CID 20765115) is (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one.
What is the SMILES notation for (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one?
The canonical SMILES for (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one is CC(=O)/C(=C/[Si](C)(C)C)CCCCO.
What is the InChIKey of (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one?
The InChIKey is KXFCXPDTIASWCF-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(13)11(7-5-6-8-12)9-14(2,3)4/h9,12H,5-8H2,1-4H3/b11-9+.
What are the key properties of (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one?
(3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one has a molecular weight of 214.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-hydroxy-3-(trimethylsilylmethylidene)heptan-2-one is sourced from PubChem (CID 20765115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).