cyclohexyl 2-tributylsilylprop-2-enoate

C21H40O2Si — CID 139634255

IUPACcyclohexyl 2-tributylsilylprop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1)[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C21H40O2Si/c1-5-8-16-24(17-9-6-2,18-10-7-3)19(4)21(22)23-20-14-12-11-13-15-20/h20H,4-18H2,1-3H3
InChIKeyRPRRWMDYHBBILC-UHFFFAOYSA-N
MW352.64 g/mol
LogP6.81
Rot. Bonds12

About cyclohexyl 2-tributylsilylprop-2-enoate

cyclohexyl 2-tributylsilylprop-2-enoate (PubChem CID 139634255) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is cyclohexyl 2-tributylsilylprop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-tributylsilylprop-2-enoate
PubChem CID139634255
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Namecyclohexyl 2-tributylsilylprop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1)[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C21H40O2Si/c1-5-8-16-24(17-9-6-2,18-10-7-3)19(4)21(22)23-20-14-12-11-13-15-20/h20H,4-18H2,1-3H3
InChIKeyRPRRWMDYHBBILC-UHFFFAOYSA-N
XLogP6.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 56.81
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

cyclohexyl 2-trimethylsilylprop-2-enoate
CID 139634302
cyclododecyl 2-methylidenebutanoate
CID 57244431
2-O-cyclohexyl 1-O-hexyl oxalate
CID 6421307
ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclohexyl 2-ethylidenedodecanoate
CID 174585832
cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate
CID 66947933
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-tributylsilylprop-2-enoate?
The IUPAC name of cyclohexyl 2-tributylsilylprop-2-enoate (CID 139634255) is cyclohexyl 2-tributylsilylprop-2-enoate.
What is the SMILES notation for cyclohexyl 2-tributylsilylprop-2-enoate?
The canonical SMILES for cyclohexyl 2-tributylsilylprop-2-enoate is C=C(C(=O)OC1CCCCC1)[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of cyclohexyl 2-tributylsilylprop-2-enoate?
The InChIKey is RPRRWMDYHBBILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-5-8-16-24(17-9-6-2,18-10-7-3)19(4)21(22)23-20-14-12-11-13-15-20/h20H,4-18H2,1-3H3.
What are the key properties of cyclohexyl 2-tributylsilylprop-2-enoate?
cyclohexyl 2-tributylsilylprop-2-enoate has a molecular weight of 352.64 g/mol, XLogP of 6.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-tributylsilylprop-2-enoate is sourced from PubChem (CID 139634255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).