1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate

C16H18O2 — CID 23200398

IUPAC1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C16H18O2/c1-12(2)15(17)18-16(3,13-8-4-5-9-13)14-10-6-7-11-14/h4-8,10H,1,9,11H2,2-3H3
InChIKeyPAZGHNSIPCYWON-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.64
Rot. Bonds4

About 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate

1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 23200398) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID23200398
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C16H18O2/c1-12(2)15(17)18-16(3,13-8-4-5-9-13)14-10-6-7-11-14/h4-8,10H,1,9,11H2,2-3H3
InChIKeyPAZGHNSIPCYWON-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.64
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 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate (CID 23200398) is 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is PAZGHNSIPCYWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-12(2)15(17)18-16(3,13-8-4-5-9-13)14-10-6-7-11-14/h4-8,10H,1,9,11H2,2-3H3.
What are the key properties of 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate?
1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 242.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclopenta-1,3-dien-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23200398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).