7-trichlorosilylheptyl acetate

C9H17Cl3O2Si — CID 150460177

IUPAC7-trichlorosilylheptyl acetate
SMILESCC(=O)OCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H17Cl3O2Si/c1-9(13)14-7-5-3-2-4-6-8-15(10,11)12/h2-8H2,1H3
InChIKeyHPPVLJSWKBMMOE-UHFFFAOYSA-N
MW291.68 g/mol
LogP4.16
Rot. Bonds8

About 7-trichlorosilylheptyl acetate

7-trichlorosilylheptyl acetate (PubChem CID 150460177) has the molecular formula C9H17Cl3O2Si and a molecular weight of 291.68 g/mol. Its IUPAC name is 7-trichlorosilylheptyl acetate.

Molecular Properties

Compound Name7-trichlorosilylheptyl acetate
PubChem CID150460177
Molecular FormulaC9H17Cl3O2Si
Molecular Weight291.68 g/mol
Exact Mass290.01
IUPAC Name7-trichlorosilylheptyl acetate
SMILESCC(=O)OCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H17Cl3O2Si/c1-9(13)14-7-5-3-2-4-6-8-15(10,11)12/h2-8H2,1H3
InChIKeyHPPVLJSWKBMMOE-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

11-acetyloxyundecyl acetate
CID 87784419
14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
6-trichlorosilylhexyl 2-bromopropanoate
CID 59215465
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
8-trichlorosilyloctyl but-2-enoate
CID 174105922
9-trichlorosilylnonyl but-2-enoate
CID 174105776
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
8-chlorooctyl acetate
CID 527879
6-trichlorosilylhexyl 3-bromo-2-methylpropanoate
CID 140615646
4-trichlorosilylbutyl prop-2-enoate
CID 54422038

Frequently Asked Questions

What is the IUPAC name of 7-trichlorosilylheptyl acetate?
The IUPAC name of 7-trichlorosilylheptyl acetate (CID 150460177) is 7-trichlorosilylheptyl acetate.
What is the SMILES notation for 7-trichlorosilylheptyl acetate?
The canonical SMILES for 7-trichlorosilylheptyl acetate is CC(=O)OCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 7-trichlorosilylheptyl acetate?
The InChIKey is HPPVLJSWKBMMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl3O2Si/c1-9(13)14-7-5-3-2-4-6-8-15(10,11)12/h2-8H2,1H3.
What are the key properties of 7-trichlorosilylheptyl acetate?
7-trichlorosilylheptyl acetate has a molecular weight of 291.68 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trichlorosilylheptyl acetate is sourced from PubChem (CID 150460177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).