2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate

C14H26O3Si — CID 175107126

IUPAC2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate
SMILESC=CC(C)(OC(=O)C(C)=CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-8-10-11-12(3)13(15)16-14(4,9-2)17-18(5,6)7/h9,11H,2,8,10H2,1,3-7H3
InChIKeyJOCNISHKNJSYMF-UHFFFAOYSA-N
MW270.44 g/mol
LogP4.03
Rot. Bonds7

About 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate

2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate (PubChem CID 175107126) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate.

Molecular Properties

Compound Name2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate
PubChem CID175107126
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate
SMILESC=CC(C)(OC(=O)C(C)=CCCC)O[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-8-10-11-12(3)13(15)16-14(4,9-2)17-18(5,6)7/h9,11H,2,8,10H2,1,3-7H3
InChIKeyJOCNISHKNJSYMF-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate?
The IUPAC name of 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate (CID 175107126) is 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate.
What is the SMILES notation for 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate?
The canonical SMILES for 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate is C=CC(C)(OC(=O)C(C)=CCCC)O[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate?
The InChIKey is JOCNISHKNJSYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-8-10-11-12(3)13(15)16-14(4,9-2)17-18(5,6)7/h9,11H,2,8,10H2,1,3-7H3.
What are the key properties of 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate?
2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate has a molecular weight of 270.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxybut-3-en-2-yl 2-methylhex-2-enoate is sourced from PubChem (CID 175107126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).