propan-2-yl cyclohex-3-ene-1-carboxylate

C10H16O2 — CID 15930975

IUPACpropan-2-yl cyclohex-3-ene-1-carboxylate
SMILESCC(C)OC(=O)C1CC=CCC1
InChIInChI=1S/C10H16O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3
InChIKeyFROQTLFZSLRUPM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About propan-2-yl cyclohex-3-ene-1-carboxylate

propan-2-yl cyclohex-3-ene-1-carboxylate (PubChem CID 15930975) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is propan-2-yl cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl cyclohex-3-ene-1-carboxylate
PubChem CID15930975
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namepropan-2-yl cyclohex-3-ene-1-carboxylate
SMILESCC(C)OC(=O)C1CC=CCC1
InChIInChI=1S/C10H16O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3
InChIKeyFROQTLFZSLRUPM-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl cyclohex-3-ene-1-carboxylate?
The IUPAC name of propan-2-yl cyclohex-3-ene-1-carboxylate (CID 15930975) is propan-2-yl cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for propan-2-yl cyclohex-3-ene-1-carboxylate?
The canonical SMILES for propan-2-yl cyclohex-3-ene-1-carboxylate is CC(C)OC(=O)C1CC=CCC1.
What is the InChIKey of propan-2-yl cyclohex-3-ene-1-carboxylate?
The InChIKey is FROQTLFZSLRUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of propan-2-yl cyclohex-3-ene-1-carboxylate?
propan-2-yl cyclohex-3-ene-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 15930975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).