methyl 3,3-dicyclopentyl-2-methylprop-2-enoate

C15H24O2 — CID 69335250

IUPACmethyl 3,3-dicyclopentyl-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C(C1CCCC1)C1CCCC1
InChIInChI=1S/C15H24O2/c1-11(15(16)17-2)14(12-7-3-4-8-12)13-9-5-6-10-13/h12-13H,3-10H2,1-2H3
InChIKeyJALKVLNSPBUBII-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.86
Rot. Bonds3

About methyl 3,3-dicyclopentyl-2-methylprop-2-enoate

methyl 3,3-dicyclopentyl-2-methylprop-2-enoate (PubChem CID 69335250) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is methyl 3,3-dicyclopentyl-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3,3-dicyclopentyl-2-methylprop-2-enoate
PubChem CID69335250
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namemethyl 3,3-dicyclopentyl-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C(C1CCCC1)C1CCCC1
InChIInChI=1S/C15H24O2/c1-11(15(16)17-2)14(12-7-3-4-8-12)13-9-5-6-10-13/h12-13H,3-10H2,1-2H3
InChIKeyJALKVLNSPBUBII-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.86
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 methyl 3,3-dicyclopentyl-2-methylprop-2-enoate?
The IUPAC name of methyl 3,3-dicyclopentyl-2-methylprop-2-enoate (CID 69335250) is methyl 3,3-dicyclopentyl-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3,3-dicyclopentyl-2-methylprop-2-enoate?
The canonical SMILES for methyl 3,3-dicyclopentyl-2-methylprop-2-enoate is COC(=O)C(C)=C(C1CCCC1)C1CCCC1.
What is the InChIKey of methyl 3,3-dicyclopentyl-2-methylprop-2-enoate?
The InChIKey is JALKVLNSPBUBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(15(16)17-2)14(12-7-3-4-8-12)13-9-5-6-10-13/h12-13H,3-10H2,1-2H3.
What are the key properties of methyl 3,3-dicyclopentyl-2-methylprop-2-enoate?
methyl 3,3-dicyclopentyl-2-methylprop-2-enoate has a molecular weight of 236.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dicyclopentyl-2-methylprop-2-enoate is sourced from PubChem (CID 69335250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).