9-silylheptadecane-8,10-dione

C17H34O2Si — CID 175052946

IUPAC9-silylheptadecane-8,10-dione
SMILESCCCCCCCC(=O)C([SiH3])C(=O)CCCCCCC
InChIInChI=1S/C17H34O2Si/c1-3-5-7-9-11-13-15(18)17(20)16(19)14-12-10-8-6-4-2/h17H,3-14H2,1-2,20H3
InChIKeyMNNDAEXKCDBYNN-UHFFFAOYSA-N
MW298.54 g/mol
LogP4.00
Rot. Bonds14

About 9-silylheptadecane-8,10-dione

9-silylheptadecane-8,10-dione (PubChem CID 175052946) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 9-silylheptadecane-8,10-dione.

Molecular Properties

Compound Name9-silylheptadecane-8,10-dione
PubChem CID175052946
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name9-silylheptadecane-8,10-dione
SMILESCCCCCCCC(=O)C([SiH3])C(=O)CCCCCCC
InChIInChI=1S/C17H34O2Si/c1-3-5-7-9-11-13-15(18)17(20)16(19)14-12-10-8-6-4-2/h17H,3-14H2,1-2,20H3
InChIKeyMNNDAEXKCDBYNN-UHFFFAOYSA-N
XLogP4.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
2-hydroxyicosan-3-one
CID 57023276
13-pentadecylheptacosane-12,14-dione
CID 141100144
11-propylhenicosane-10,12-dione
CID 57313364
2-chloroheptadecan-3-one
CID 88651520
17-butyltritriacontane-16,18-dione
CID 173360243
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
(3S)-3-methylnonane-2,4-dione
CID 76962575
1,1-bis(sulfanyl)heptan-2-one
CID 88623659
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
2-ethyl-3-oxoicosanoic acid
CID 57213641

Frequently Asked Questions

What is the IUPAC name of 9-silylheptadecane-8,10-dione?
The IUPAC name of 9-silylheptadecane-8,10-dione (CID 175052946) is 9-silylheptadecane-8,10-dione.
What is the SMILES notation for 9-silylheptadecane-8,10-dione?
The canonical SMILES for 9-silylheptadecane-8,10-dione is CCCCCCCC(=O)C([SiH3])C(=O)CCCCCCC.
What is the InChIKey of 9-silylheptadecane-8,10-dione?
The InChIKey is MNNDAEXKCDBYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-3-5-7-9-11-13-15(18)17(20)16(19)14-12-10-8-6-4-2/h17H,3-14H2,1-2,20H3.
What are the key properties of 9-silylheptadecane-8,10-dione?
9-silylheptadecane-8,10-dione has a molecular weight of 298.54 g/mol, XLogP of 4.00, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-silylheptadecane-8,10-dione is sourced from PubChem (CID 175052946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).