(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate

C11H16O2 — CID 139639663

IUPAC(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1C=CCC(C)C1
InChIInChI=1S/C11H16O2/c1-3-11(12)13-8-10-6-4-5-9(2)7-10/h3-4,6,9-10H,1,5,7-8H2,2H3
InChIKeyKWYYDVKGZBMMRU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.32
Rot. Bonds3

About (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate

(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate (PubChem CID 139639663) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate
PubChem CID139639663
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1C=CCC(C)C1
InChIInChI=1S/C11H16O2/c1-3-11(12)13-8-10-6-4-5-9(2)7-10/h3-4,6,9-10H,1,5,7-8H2,2H3
InChIKeyKWYYDVKGZBMMRU-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate?
The IUPAC name of (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate (CID 139639663) is (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate.
What is the SMILES notation for (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate?
The canonical SMILES for (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate is C=CC(=O)OCC1C=CCC(C)C1.
What is the InChIKey of (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate?
The InChIKey is KWYYDVKGZBMMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-11(12)13-8-10-6-4-5-9(2)7-10/h3-4,6,9-10H,1,5,7-8H2,2H3.
What are the key properties of (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate?
(5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate has a molecular weight of 180.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylcyclohex-2-en-1-yl)methyl prop-2-enoate is sourced from PubChem (CID 139639663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).