2-ethylhexyl 2-cyclohexylprop-2-enoate

C17H30O2 — CID 57075149

IUPAC2-ethylhexyl 2-cyclohexylprop-2-enoate
SMILESC=C(C(=O)OCC(CC)CCCC)C1CCCCC1
InChIInChI=1S/C17H30O2/c1-4-6-10-15(5-2)13-19-17(18)14(3)16-11-8-7-9-12-16/h15-16H,3-13H2,1-2H3
InChIKeyHJCPUVBZIHNBEB-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.88
Rot. Bonds8

About 2-ethylhexyl 2-cyclohexylprop-2-enoate

2-ethylhexyl 2-cyclohexylprop-2-enoate (PubChem CID 57075149) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-ethylhexyl 2-cyclohexylprop-2-enoate.

Molecular Properties

Compound Name2-ethylhexyl 2-cyclohexylprop-2-enoate
PubChem CID57075149
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-ethylhexyl 2-cyclohexylprop-2-enoate
SMILESC=C(C(=O)OCC(CC)CCCC)C1CCCCC1
InChIInChI=1S/C17H30O2/c1-4-6-10-15(5-2)13-19-17(18)14(3)16-11-8-7-9-12-16/h15-16H,3-13H2,1-2H3
InChIKeyHJCPUVBZIHNBEB-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-cyclohexylprop-2-enoate?
The IUPAC name of 2-ethylhexyl 2-cyclohexylprop-2-enoate (CID 57075149) is 2-ethylhexyl 2-cyclohexylprop-2-enoate.
What is the SMILES notation for 2-ethylhexyl 2-cyclohexylprop-2-enoate?
The canonical SMILES for 2-ethylhexyl 2-cyclohexylprop-2-enoate is C=C(C(=O)OCC(CC)CCCC)C1CCCCC1.
What is the InChIKey of 2-ethylhexyl 2-cyclohexylprop-2-enoate?
The InChIKey is HJCPUVBZIHNBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-4-6-10-15(5-2)13-19-17(18)14(3)16-11-8-7-9-12-16/h15-16H,3-13H2,1-2H3.
What are the key properties of 2-ethylhexyl 2-cyclohexylprop-2-enoate?
2-ethylhexyl 2-cyclohexylprop-2-enoate has a molecular weight of 266.42 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-cyclohexylprop-2-enoate is sourced from PubChem (CID 57075149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).