methyl 3-cyclohex-3-en-1-ylpropanoate

C10H16O2 — CID 12772855

IUPACmethyl 3-cyclohex-3-en-1-ylpropanoate
SMILESCOC(=O)CCC1CC=CCC1
InChIInChI=1S/C10H16O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-3,9H,4-8H2,1H3
InChIKeyMUNYKPRDIBVGQR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About methyl 3-cyclohex-3-en-1-ylpropanoate

methyl 3-cyclohex-3-en-1-ylpropanoate (PubChem CID 12772855) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 3-cyclohex-3-en-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-cyclohex-3-en-1-ylpropanoate
PubChem CID12772855
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 3-cyclohex-3-en-1-ylpropanoate
SMILESCOC(=O)CCC1CC=CCC1
InChIInChI=1S/C10H16O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-3,9H,4-8H2,1H3
InChIKeyMUNYKPRDIBVGQR-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate
CID 158577027
3-(2-cyclohex-3-en-1-ylethylamino)propanoic acid
CID 139020825
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
methyl 3-(oxan-4-yl)propanoate
CID 55296577
4-propylcyclohexene
CID 518777
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
2-[[4-(3-methoxy-3-oxopropyl)cyclohexyl]amino]acetic acid;hydrochloride
CID 67719383
3-cyclohex-3-en-1-ylpropyl(dimethoxy)silane
CID 123278709
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohex-3-en-1-ylpropanoate?
The IUPAC name of methyl 3-cyclohex-3-en-1-ylpropanoate (CID 12772855) is methyl 3-cyclohex-3-en-1-ylpropanoate.
What is the SMILES notation for methyl 3-cyclohex-3-en-1-ylpropanoate?
The canonical SMILES for methyl 3-cyclohex-3-en-1-ylpropanoate is COC(=O)CCC1CC=CCC1.
What is the InChIKey of methyl 3-cyclohex-3-en-1-ylpropanoate?
The InChIKey is MUNYKPRDIBVGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-3,9H,4-8H2,1H3.
What are the key properties of methyl 3-cyclohex-3-en-1-ylpropanoate?
methyl 3-cyclohex-3-en-1-ylpropanoate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohex-3-en-1-ylpropanoate is sourced from PubChem (CID 12772855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).