bis(2-methylpropyl)silyl 2-methylhex-2-enoate

C15H30O2Si — CID 175540666

IUPACbis(2-methylpropyl)silyl 2-methylhex-2-enoate
SMILESCCCC=C(C)C(=O)O[SiH](CC(C)C)CC(C)C
InChIInChI=1S/C15H30O2Si/c1-7-8-9-14(6)15(16)17-18(10-12(2)3)11-13(4)5/h9,12-13,18H,7-8,10-11H2,1-6H3
InChIKeyYCJWANKPVORYBF-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.31
Rot. Bonds8

About bis(2-methylpropyl)silyl 2-methylhex-2-enoate

bis(2-methylpropyl)silyl 2-methylhex-2-enoate (PubChem CID 175540666) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is bis(2-methylpropyl)silyl 2-methylhex-2-enoate.

Molecular Properties

Compound Namebis(2-methylpropyl)silyl 2-methylhex-2-enoate
PubChem CID175540666
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Namebis(2-methylpropyl)silyl 2-methylhex-2-enoate
SMILESCCCC=C(C)C(=O)O[SiH](CC(C)C)CC(C)C
InChIInChI=1S/C15H30O2Si/c1-7-8-9-14(6)15(16)17-18(10-12(2)3)11-13(4)5/h9,12-13,18H,7-8,10-11H2,1-6H3
InChIKeyYCJWANKPVORYBF-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

methyl (E)-2-methylhex-2-enoate
CID 5364816
1-oxopropan-2-yl 2-methylhex-2-enoate
CID 175307016
bis(2-methylhex-2-enoyloxy)alumanyl 2-methylhex-2-enoate
CID 139616676
1-[bis[1-[(E)-2-methylhex-2-enoyl]oxyethoxy]phosphoryloxy]ethyl (E)-2-methylhex-2-enoate
CID 139913304
3-hydroxypropyl 2-methylhex-2-enoate
CID 139671823
sulfo (E)-2-methylhex-2-enoate
CID 87119390
carbamoyl 2-methylhex-2-eneperoxoate
CID 173307552
[methoxymethyl(propyl)silyl] 2-methylpent-2-enoate
CID 159846862
CID 156828344
CID 156828344
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
N-chloro-2-methylhex-2-enamide
CID 140536869
2-methylbut-2-enoyl 2-methylhept-2-enoate
CID 173170263

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)silyl 2-methylhex-2-enoate?
The IUPAC name of bis(2-methylpropyl)silyl 2-methylhex-2-enoate (CID 175540666) is bis(2-methylpropyl)silyl 2-methylhex-2-enoate.
What is the SMILES notation for bis(2-methylpropyl)silyl 2-methylhex-2-enoate?
The canonical SMILES for bis(2-methylpropyl)silyl 2-methylhex-2-enoate is CCCC=C(C)C(=O)O[SiH](CC(C)C)CC(C)C.
What is the InChIKey of bis(2-methylpropyl)silyl 2-methylhex-2-enoate?
The InChIKey is YCJWANKPVORYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-8-9-14(6)15(16)17-18(10-12(2)3)11-13(4)5/h9,12-13,18H,7-8,10-11H2,1-6H3.
What are the key properties of bis(2-methylpropyl)silyl 2-methylhex-2-enoate?
bis(2-methylpropyl)silyl 2-methylhex-2-enoate has a molecular weight of 270.49 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)silyl 2-methylhex-2-enoate is sourced from PubChem (CID 175540666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).