1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate

C12H18O3 — CID 169132894

IUPAC1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC1=CCCCC1
InChIInChI=1S/C12H18O3/c1-9(2)12(13)15-10(3)14-11-7-5-4-6-8-11/h7,10H,1,4-6,8H2,2-3H3
InChIKeySCRZFQNWXFKHFR-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.93
Rot. Bonds4

About 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate

1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate (PubChem CID 169132894) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate
PubChem CID169132894
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC1=CCCCC1
InChIInChI=1S/C12H18O3/c1-9(2)12(13)15-10(3)14-11-7-5-4-6-8-11/h7,10H,1,4-6,8H2,2-3H3
InChIKeySCRZFQNWXFKHFR-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate (CID 169132894) is 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is SCRZFQNWXFKHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(2)12(13)15-10(3)14-11-7-5-4-6-8-11/h7,10H,1,4-6,8H2,2-3H3.
What are the key properties of 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate?
1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 210.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 169132894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).