(E)-2-trimethoxysilylhex-2-enoate

C9H17O5Si- — CID 23064713

IUPAC(E)-2-trimethoxysilylhex-2-enoate
SMILESCCC/C=C(\C(=O)[O-])[Si](OC)(OC)OC
InChIInChI=1S/C9H18O5Si/c1-5-6-7-8(9(10)11)15(12-2,13-3)14-4/h7H,5-6H2,1-4H3,(H,10,11)/p-1/b8-7+
InChIKeyRKFLKHHNODTYCP-BQYQJAHWSA-M
MW233.32 g/mol
LogP-0.12
Rot. Bonds7

About (E)-2-trimethoxysilylhex-2-enoate

(E)-2-trimethoxysilylhex-2-enoate (PubChem CID 23064713) has the molecular formula C9H17O5Si- and a molecular weight of 233.32 g/mol. Its IUPAC name is (E)-2-trimethoxysilylhex-2-enoate.

Molecular Properties

Compound Name(E)-2-trimethoxysilylhex-2-enoate
PubChem CID23064713
Molecular FormulaC9H17O5Si-
Molecular Weight233.32 g/mol
Exact Mass233.09
IUPAC Name(E)-2-trimethoxysilylhex-2-enoate
SMILESCCC/C=C(\C(=O)[O-])[Si](OC)(OC)OC
InChIInChI=1S/C9H18O5Si/c1-5-6-7-8(9(10)11)15(12-2,13-3)14-4/h7H,5-6H2,1-4H3,(H,10,11)/p-1/b8-7+
InChIKeyRKFLKHHNODTYCP-BQYQJAHWSA-M
XLogP-0.12
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(Z)-2-ethoxyhex-2-enoate
CID 23622057
CID 23064698
CID 23064698
methyl (E)-2-methylhex-2-enoate
CID 5364816
(Z)-2-aminohex-2-enamide
CID 55284106
methyl (Z)-2-chlorohex-2-enoate
CID 12547214
3-hydroxyhept-3-enoic acid
CID 173143432
(Z)-2-aminohex-2-enamide;hydrochloride
CID 87933245
N-methoxy-2-methylhex-2-enamide
CID 159177287
methyl (E)-2-acetylhex-2-enoate
CID 12838651
2-methylprop-2-enoate;trimethoxy(propyl)silane
CID 22007225
(Z)-2-aminohex-2-enamide;chloromethane
CID 126509379
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227

Frequently Asked Questions

What is the IUPAC name of (E)-2-trimethoxysilylhex-2-enoate?
The IUPAC name of (E)-2-trimethoxysilylhex-2-enoate (CID 23064713) is (E)-2-trimethoxysilylhex-2-enoate.
What is the SMILES notation for (E)-2-trimethoxysilylhex-2-enoate?
The canonical SMILES for (E)-2-trimethoxysilylhex-2-enoate is CCC/C=C(\C(=O)[O-])[Si](OC)(OC)OC.
What is the InChIKey of (E)-2-trimethoxysilylhex-2-enoate?
The InChIKey is RKFLKHHNODTYCP-BQYQJAHWSA-M. The full InChI is InChI=1S/C9H18O5Si/c1-5-6-7-8(9(10)11)15(12-2,13-3)14-4/h7H,5-6H2,1-4H3,(H,10,11)/p-1/b8-7+.
What are the key properties of (E)-2-trimethoxysilylhex-2-enoate?
(E)-2-trimethoxysilylhex-2-enoate has a molecular weight of 233.32 g/mol, XLogP of -0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-trimethoxysilylhex-2-enoate is sourced from PubChem (CID 23064713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).