2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one

C15H28O4Si — CID 174413287

IUPAC2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one
SMILESC=C(C)C(=O)CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C15H28O4Si/c1-13(2)14(16)9-8-11-15(17-3)10-6-7-12-20(15,18-4)19-5/h1,6-12H2,2-5H3
InChIKeyCNEXZBJDDVXWAZ-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.15
Rot. Bonds8

About 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one

2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one (PubChem CID 174413287) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one.

Molecular Properties

Compound Name2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one
PubChem CID174413287
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one
SMILESC=C(C)C(=O)CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C15H28O4Si/c1-13(2)14(16)9-8-11-15(17-3)10-6-7-12-20(15,18-4)19-5/h1,6-12H2,2-5H3
InChIKeyCNEXZBJDDVXWAZ-UHFFFAOYSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,1,2-trimethoxysilinan-2-yl)propan-1-ol
CID 174434507
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
2-(3-isothiocyanatopropyl)-1,1,2-trimethoxysilinane
CID 174434144
N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
CID 174392249
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate
CID 175262529
N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
CID 175279525
ethoxyethane;1,1,2-trimethoxy-2-propylsilinane
CID 174297956
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane
CID 174413955
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
1H-imidazole;1,1,2-trimethoxy-2-propylsilinane
CID 174851969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one?
The IUPAC name of 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one (CID 174413287) is 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one.
What is the SMILES notation for 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one?
The canonical SMILES for 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one is C=C(C)C(=O)CCCC1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one?
The InChIKey is CNEXZBJDDVXWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-13(2)14(16)9-8-11-15(17-3)10-6-7-12-20(15,18-4)19-5/h1,6-12H2,2-5H3.
What are the key properties of 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one?
2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one has a molecular weight of 300.47 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one is sourced from PubChem (CID 174413287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).