(3-ethenylcyclohex-2-en-1-yl) prop-2-enoate

C11H14O2 — CID 14002568

IUPAC(3-ethenylcyclohex-2-en-1-yl) prop-2-enoate
SMILESC=CC(=O)OC1C=C(C=C)CCC1
InChIInChI=1S/C11H14O2/c1-3-9-6-5-7-10(8-9)13-11(12)4-2/h3-4,8,10H,1-2,5-7H2
InChIKeyHWOUZKKVWNOUKA-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds3

About (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate

(3-ethenylcyclohex-2-en-1-yl) prop-2-enoate (PubChem CID 14002568) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate.

Molecular Properties

Compound Name(3-ethenylcyclohex-2-en-1-yl) prop-2-enoate
PubChem CID14002568
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(3-ethenylcyclohex-2-en-1-yl) prop-2-enoate
SMILESC=CC(=O)OC1C=C(C=C)CCC1
InChIInChI=1S/C11H14O2/c1-3-9-6-5-7-10(8-9)13-11(12)4-2/h3-4,8,10H,1-2,5-7H2
InChIKeyHWOUZKKVWNOUKA-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.38
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 (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate?
The IUPAC name of (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate (CID 14002568) is (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate.
What is the SMILES notation for (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate?
The canonical SMILES for (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate is C=CC(=O)OC1C=C(C=C)CCC1.
What is the InChIKey of (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate?
The InChIKey is HWOUZKKVWNOUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-9-6-5-7-10(8-9)13-11(12)4-2/h3-4,8,10H,1-2,5-7H2.
What are the key properties of (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate?
(3-ethenylcyclohex-2-en-1-yl) prop-2-enoate has a molecular weight of 178.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylcyclohex-2-en-1-yl) prop-2-enoate is sourced from PubChem (CID 14002568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).