(2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one

C21H40O2Si — CID 134972894

IUPAC(2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one
SMILESC/C1=C(/O[Si](C)(C)C)CCCCCCCCCCCCCCC1=O
InChIInChI=1S/C21H40O2Si/c1-19-20(22)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(19)23-24(2,3)4/h5-18H2,1-4H3/b21-19-
InChIKeyUVWKSWWKTPJHBN-VZCXRCSSSA-N
MW352.64 g/mol
LogP7.16
Rot. Bonds2

About (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one

(2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one (PubChem CID 134972894) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one.

Molecular Properties

Compound Name(2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one
PubChem CID134972894
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Name(2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one
SMILESC/C1=C(/O[Si](C)(C)C)CCCCCCCCCCCCCCC1=O
InChIInChI=1S/C21H40O2Si/c1-19-20(22)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(19)23-24(2,3)4/h5-18H2,1-4H3/b21-19-
InChIKeyUVWKSWWKTPJHBN-VZCXRCSSSA-N
XLogP7.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 57.16
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

2,2,2-Trifluoro-1-(2-trimethylsilyloxycyclohexen-1-yl)ethanone
CID 15503929
Ethanone, 1-[2-[(trimethylsilyl)oxy]-1-cyclohexen-1-yl]-
CID 11275891
2-Pentyl-3-tri(propan-2-yl)silyloxycyclobut-2-en-1-one
CID 14060252
Hentriacontane-10,14,16-trione, mono-TMS
CID 5363462
Hentriacontane-14,16-dione, enol monotrimethylsilyl ether
CID 5366350
Hentriacontane-7,16,18-trione O-trimethylsilyl ether
CID 5366388
2-Methyl-3-[(trimethylsilyl)oxy]cyclohex-2-en-1-one
CID 12822760
Methyl 7-[2-[butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 21662411
Methyl 7-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 22987291
Methyl 7-(5-oxo-2-triethylsilyloxycyclopenten-1-yl)heptanoate
CID 67791415
5-[Tert-butyl(dimethyl)silyl]oxy-2,3-dipentylcyclopent-2-en-1-one
CID 69120837
CID 70132910
CID 70132910

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one?
The IUPAC name of (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one (CID 134972894) is (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one.
What is the SMILES notation for (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one?
The canonical SMILES for (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one is C/C1=C(/O[Si](C)(C)C)CCCCCCCCCCCCCCC1=O.
What is the InChIKey of (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one?
The InChIKey is UVWKSWWKTPJHBN-VZCXRCSSSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-19-20(22)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(19)23-24(2,3)4/h5-18H2,1-4H3/b21-19-.
What are the key properties of (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one?
(2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one has a molecular weight of 352.64 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methyl-3-trimethylsilyloxycycloheptadec-2-en-1-one is sourced from PubChem (CID 134972894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).