methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate

C14H20O3 — CID 69182024

IUPACmethyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate
SMILESCOC(=O)C(=CC1CCCCC1)C(=O)C1CC1
InChIInChI=1S/C14H20O3/c1-17-14(16)12(13(15)11-7-8-11)9-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyYQNRFQWGDUTVIS-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.65
Rot. Bonds4

About methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate

methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate (PubChem CID 69182024) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate
PubChem CID69182024
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate
SMILESCOC(=O)C(=CC1CCCCC1)C(=O)C1CC1
InChIInChI=1S/C14H20O3/c1-17-14(16)12(13(15)11-7-8-11)9-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyYQNRFQWGDUTVIS-UHFFFAOYSA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate?
The IUPAC name of methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate (CID 69182024) is methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate.
What is the SMILES notation for methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate?
The canonical SMILES for methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate is COC(=O)C(=CC1CCCCC1)C(=O)C1CC1.
What is the InChIKey of methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate?
The InChIKey is YQNRFQWGDUTVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-17-14(16)12(13(15)11-7-8-11)9-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3.
What are the key properties of methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate?
methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate has a molecular weight of 236.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate is sourced from PubChem (CID 69182024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).