1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate

C16H22O2 — CID 19787020

IUPAC1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C16H22O2/c1-12(2)15(17)18-16(3,13-8-4-5-9-13)14-10-6-7-11-14/h8,10H,1,4-7,9,11H2,2-3H3
InChIKeyFBOUWLAKTYOVTA-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.09
Rot. Bonds4

About 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate

1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 19787020) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID19787020
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C16H22O2/c1-12(2)15(17)18-16(3,13-8-4-5-9-13)14-10-6-7-11-14/h8,10H,1,4-7,9,11H2,2-3H3
InChIKeyFBOUWLAKTYOVTA-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate (CID 19787020) is 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C1=CCCC1)C1=CCCC1.
What is the InChIKey of 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is FBOUWLAKTYOVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(2)15(17)18-16(3,13-8-4-5-9-13)14-10-6-7-11-14/h8,10H,1,4-7,9,11H2,2-3H3.
What are the key properties of 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate?
1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 246.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclopenten-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19787020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).