methyl 2,3-dicyclopentylprop-2-enoate

C14H22O2 — CID 57152498

IUPACmethyl 2,3-dicyclopentylprop-2-enoate
SMILESCOC(=O)C(=CC1CCCC1)C1CCCC1
InChIInChI=1S/C14H22O2/c1-16-14(15)13(12-8-4-5-9-12)10-11-6-2-3-7-11/h10-12H,2-9H2,1H3
InChIKeyHTVUEIFPLYHDHY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds3

About methyl 2,3-dicyclopentylprop-2-enoate

methyl 2,3-dicyclopentylprop-2-enoate (PubChem CID 57152498) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is methyl 2,3-dicyclopentylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2,3-dicyclopentylprop-2-enoate
PubChem CID57152498
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namemethyl 2,3-dicyclopentylprop-2-enoate
SMILESCOC(=O)C(=CC1CCCC1)C1CCCC1
InChIInChI=1S/C14H22O2/c1-16-14(15)13(12-8-4-5-9-12)10-11-6-2-3-7-11/h10-12H,2-9H2,1H3
InChIKeyHTVUEIFPLYHDHY-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
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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Related Compounds

methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
methyl 3-cyano-2-cyclohexylprop-2-enoate
CID 69231273
methyl 3-cyclohexyl-2-(cyclopropanecarbonyl)prop-2-enoate
CID 69182024
methyl 2-[(2-chloroacetyl)amino]-3-cyclopentylprop-2-enoate
CID 70462096
methyl 3,3-dicyclopentyl-2-methylprop-2-enoate
CID 69335250
methyl 3-cyclopropyl-2-fluoroprop-2-enoate
CID 67848628
methyl 3-cyclohexyl-3-hydroxy-2-methylprop-2-enoate
CID 174624623
methyl 2-(cyclopentanecarbonyl)prop-2-enoate
CID 126552661
cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate
CID 57027982
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 3-cyclopropyl-2,3-dioxopropanoate
CID 142370646
methyl 3-cycloheptyl-2-(4-methylsulfonylphenyl)prop-2-enoate
CID 54500614

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dicyclopentylprop-2-enoate?
The IUPAC name of methyl 2,3-dicyclopentylprop-2-enoate (CID 57152498) is methyl 2,3-dicyclopentylprop-2-enoate.
What is the SMILES notation for methyl 2,3-dicyclopentylprop-2-enoate?
The canonical SMILES for methyl 2,3-dicyclopentylprop-2-enoate is COC(=O)C(=CC1CCCC1)C1CCCC1.
What is the InChIKey of methyl 2,3-dicyclopentylprop-2-enoate?
The InChIKey is HTVUEIFPLYHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-16-14(15)13(12-8-4-5-9-12)10-11-6-2-3-7-11/h10-12H,2-9H2,1H3.
What are the key properties of methyl 2,3-dicyclopentylprop-2-enoate?
methyl 2,3-dicyclopentylprop-2-enoate has a molecular weight of 222.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dicyclopentylprop-2-enoate is sourced from PubChem (CID 57152498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).