(1-methylcyclohexyl) prop-2-enoate

C10H16O2 — CID 13086546

IUPAC(1-methylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CCCCC1
InChIInChI=1S/C10H16O2/c1-3-9(11)12-10(2)7-5-4-6-8-10/h3H,1,4-8H2,2H3
InChIKeyCJCGDEYGAIPAEN-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds2

About (1-methylcyclohexyl) prop-2-enoate

(1-methylcyclohexyl) prop-2-enoate (PubChem CID 13086546) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-methylcyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(1-methylcyclohexyl) prop-2-enoate
PubChem CID13086546
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1-methylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1(C)CCCCC1
InChIInChI=1S/C10H16O2/c1-3-9(11)12-10(2)7-5-4-6-8-10/h3H,1,4-8H2,2H3
InChIKeyCJCGDEYGAIPAEN-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
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 (1-methylcyclohexyl) prop-2-enoate?
The IUPAC name of (1-methylcyclohexyl) prop-2-enoate (CID 13086546) is (1-methylcyclohexyl) prop-2-enoate.
What is the SMILES notation for (1-methylcyclohexyl) prop-2-enoate?
The canonical SMILES for (1-methylcyclohexyl) prop-2-enoate is C=CC(=O)OC1(C)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) prop-2-enoate?
The InChIKey is CJCGDEYGAIPAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-9(11)12-10(2)7-5-4-6-8-10/h3H,1,4-8H2,2H3.
What are the key properties of (1-methylcyclohexyl) prop-2-enoate?
(1-methylcyclohexyl) prop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) prop-2-enoate is sourced from PubChem (CID 13086546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).