methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate

C15H20O4 — CID 143834455

IUPACmethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C15H20O4/c1-11(14(16)17-2)15(18-12-7-3-4-8-12)19-13-9-5-6-10-13/h7,9H,3-6,8,10H2,1-2H3
InChIKeyDKCGVFJTSJCFAU-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.56
Rot. Bonds5

About methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate

methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate (PubChem CID 143834455) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate
PubChem CID143834455
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate
SMILESCOC(=O)C(C)=C(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C15H20O4/c1-11(14(16)17-2)15(18-12-7-3-4-8-12)19-13-9-5-6-10-13/h7,9H,3-6,8,10H2,1-2H3
InChIKeyDKCGVFJTSJCFAU-UHFFFAOYSA-N
XLogP3.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate?
The IUPAC name of methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate (CID 143834455) is methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate?
The canonical SMILES for methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate is COC(=O)C(C)=C(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate?
The InChIKey is DKCGVFJTSJCFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(14(16)17-2)15(18-12-7-3-4-8-12)19-13-9-5-6-10-13/h7,9H,3-6,8,10H2,1-2H3.
What are the key properties of methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate?
methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate is sourced from PubChem (CID 143834455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).