(Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one

C12H24OSi — CID 11298818

IUPAC(Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one
SMILESCCC/C=C(/CC[Si](C)(C)C)C(C)=O
InChIInChI=1S/C12H24OSi/c1-6-7-8-12(11(2)13)9-10-14(3,4)5/h8H,6-7,9-10H2,1-5H3/b12-8-
InChIKeyRGAGJFQDDNYSJP-WQLSENKSSA-N
MW212.41 g/mol
LogP4.03
Rot. Bonds6

About (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one

(Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one (PubChem CID 11298818) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one
PubChem CID11298818
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name(Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one
SMILESCCC/C=C(/CC[Si](C)(C)C)C(C)=O
InChIInChI=1S/C12H24OSi/c1-6-7-8-12(11(2)13)9-10-14(3,4)5/h8H,6-7,9-10H2,1-5H3/b12-8-
InChIKeyRGAGJFQDDNYSJP-WQLSENKSSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.03
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

3-propylhept-3-en-2-one
CID 537652
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
(E)-9-acetyltetradec-9-enoic acid
CID 87201562
9-acetyloctadec-9-enoic acid
CID 123865371
(E)-3-iodohept-3-en-2-one
CID 101368269
6-ethyldec-6-ene-2,5-dione
CID 57181280
N,N-dimethyl-2-propylhex-2-enamide
CID 175550014
3-ethyl-7-methylocta-3,7-dien-2-one
CID 54536933
2-propylhex-2-eneperoxoic acid
CID 175435177
(E)-2-ethylhex-2-enamide
CID 87982228
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
(Z)-3-(chloromethyl)undec-3-en-2-one
CID 10965961

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one?
The IUPAC name of (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one (CID 11298818) is (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one.
What is the SMILES notation for (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one?
The canonical SMILES for (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one is CCC/C=C(/CC[Si](C)(C)C)C(C)=O.
What is the InChIKey of (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one?
The InChIKey is RGAGJFQDDNYSJP-WQLSENKSSA-N. The full InChI is InChI=1S/C12H24OSi/c1-6-7-8-12(11(2)13)9-10-14(3,4)5/h8H,6-7,9-10H2,1-5H3/b12-8-.
What are the key properties of (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one?
(Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one has a molecular weight of 212.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-trimethylsilylethyl)hept-3-en-2-one is sourced from PubChem (CID 11298818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).