8-[chloro(dimethyl)silyl]tetradecan-7-one

C16H33ClOSi — CID 158320796

IUPAC8-[chloro(dimethyl)silyl]tetradecan-7-one
SMILESCCCCCCC(=O)C(CCCCCC)[Si](C)(C)Cl
InChIInChI=1S/C16H33ClOSi/c1-5-7-9-11-13-15(18)16(19(3,4)17)14-12-10-8-6-2/h16H,5-14H2,1-4H3
InChIKeyUDEKSOJGACBTTI-UHFFFAOYSA-N
MW304.98 g/mol
LogP6.31
Rot. Bonds12

About 8-[chloro(dimethyl)silyl]tetradecan-7-one

8-[chloro(dimethyl)silyl]tetradecan-7-one (PubChem CID 158320796) has the molecular formula C16H33ClOSi and a molecular weight of 304.98 g/mol. Its IUPAC name is 8-[chloro(dimethyl)silyl]tetradecan-7-one.

Molecular Properties

Compound Name8-[chloro(dimethyl)silyl]tetradecan-7-one
PubChem CID158320796
Molecular FormulaC16H33ClOSi
Molecular Weight304.98 g/mol
Exact Mass304.20
IUPAC Name8-[chloro(dimethyl)silyl]tetradecan-7-one
SMILESCCCCCCC(=O)C(CCCCCC)[Si](C)(C)Cl
InChIInChI=1S/C16H33ClOSi/c1-5-7-9-11-13-15(18)16(19(3,4)17)14-12-10-8-6-2/h16H,5-14H2,1-4H3
InChIKeyUDEKSOJGACBTTI-UHFFFAOYSA-N
XLogP6.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.98
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[chloro(dimethyl)silyl]undecanoate
CID 11514827
9-chlorooctadecan-8-one
CID 54543005
13-pentadecylheptacosane-12,14-dione
CID 141100144
2-trichlorosilyldodecanoic acid
CID 87682899
(11S)-11-hydroxyicosan-10-one
CID 98053519
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
15-hydroxyoctacosan-14-one
CID 11270216
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
5-[dimethyl(propan-2-yloxy)silyl]undecan-4-one
CID 134889798
(2S)-2-octyl-3-oxododecanoic acid
CID 154046678
3-oxo-2-tetradecylheptadecanoic acid
CID 54574565
2-octanoylhexadecanoic acid
CID 159011592

Frequently Asked Questions

What is the IUPAC name of 8-[chloro(dimethyl)silyl]tetradecan-7-one?
The IUPAC name of 8-[chloro(dimethyl)silyl]tetradecan-7-one (CID 158320796) is 8-[chloro(dimethyl)silyl]tetradecan-7-one.
What is the SMILES notation for 8-[chloro(dimethyl)silyl]tetradecan-7-one?
The canonical SMILES for 8-[chloro(dimethyl)silyl]tetradecan-7-one is CCCCCCC(=O)C(CCCCCC)[Si](C)(C)Cl.
What is the InChIKey of 8-[chloro(dimethyl)silyl]tetradecan-7-one?
The InChIKey is UDEKSOJGACBTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33ClOSi/c1-5-7-9-11-13-15(18)16(19(3,4)17)14-12-10-8-6-2/h16H,5-14H2,1-4H3.
What are the key properties of 8-[chloro(dimethyl)silyl]tetradecan-7-one?
8-[chloro(dimethyl)silyl]tetradecan-7-one has a molecular weight of 304.98 g/mol, XLogP of 6.31, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[chloro(dimethyl)silyl]tetradecan-7-one is sourced from PubChem (CID 158320796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).