(2-trimethylsilylcyclohept-2-en-1-yl) acetate

C12H22O2Si — CID 10398807

IUPAC(2-trimethylsilylcyclohept-2-en-1-yl) acetate
SMILESCC(=O)OC1CCCCC=C1[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-10(13)14-11-8-6-5-7-9-12(11)15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyUQWJARBCJUMEDN-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds2

About (2-trimethylsilylcyclohept-2-en-1-yl) acetate

(2-trimethylsilylcyclohept-2-en-1-yl) acetate (PubChem CID 10398807) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (2-trimethylsilylcyclohept-2-en-1-yl) acetate.

Molecular Properties

Compound Name(2-trimethylsilylcyclohept-2-en-1-yl) acetate
PubChem CID10398807
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(2-trimethylsilylcyclohept-2-en-1-yl) acetate
SMILESCC(=O)OC1CCCCC=C1[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-10(13)14-11-8-6-5-7-9-12(11)15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyUQWJARBCJUMEDN-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
2-Cycloheptenyl acetate
CID 11008137
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
4-Acetoxy-2-nonene
CID 21317666
Non-2-en-4-yl acetate
CID 54438194
[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
CID 10966588
Trimethyl-(2-pentyl-5-propyl-2,5-dihydrofuran-3-yl)silane
CID 13567512
[(E)-1-trimethylsilyloct-2-enyl] acetate
CID 135047835
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one
CID 138976731
ethyl (E)-6-(oxiran-2-yl)-3-trimethylsilylhex-2-enoate
CID 138984026
2-Nonenoic acid, 4-hydroxy, TMS, methyl ester, # 1
CID 91749557
[(E,4R)-1-chloronon-2-en-4-yl] 3-trimethylsilylprop-2-ynoate
CID 10990253

Frequently Asked Questions

What is the IUPAC name of (2-trimethylsilylcyclohept-2-en-1-yl) acetate?
The IUPAC name of (2-trimethylsilylcyclohept-2-en-1-yl) acetate (CID 10398807) is (2-trimethylsilylcyclohept-2-en-1-yl) acetate.
What is the SMILES notation for (2-trimethylsilylcyclohept-2-en-1-yl) acetate?
The canonical SMILES for (2-trimethylsilylcyclohept-2-en-1-yl) acetate is CC(=O)OC1CCCCC=C1[Si](C)(C)C.
What is the InChIKey of (2-trimethylsilylcyclohept-2-en-1-yl) acetate?
The InChIKey is UQWJARBCJUMEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-10(13)14-11-8-6-5-7-9-12(11)15(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of (2-trimethylsilylcyclohept-2-en-1-yl) acetate?
(2-trimethylsilylcyclohept-2-en-1-yl) acetate has a molecular weight of 226.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-trimethylsilylcyclohept-2-en-1-yl) acetate is sourced from PubChem (CID 10398807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).