methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate

C11H16O2 — CID 57076411

IUPACmethyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=CC1=CCCCC1
InChIInChI=1S/C11H16O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h6,8H,3-5,7H2,1-2H3
InChIKeyORLYENVIRREDON-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.61
Rot. Bonds2

About methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate

methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate (PubChem CID 57076411) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate
PubChem CID57076411
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=CC1=CCCCC1
InChIInChI=1S/C11H16O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h6,8H,3-5,7H2,1-2H3
InChIKeyORLYENVIRREDON-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.61
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 methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate?
The IUPAC name of methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate (CID 57076411) is methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate?
The canonical SMILES for methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate is COC(=O)C(C)=CC1=CCCCC1.
What is the InChIKey of methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate?
The InChIKey is ORLYENVIRREDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate?
methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate has a molecular weight of 180.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 57076411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).