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

C17H24O4 — CID 18458446

IUPAC3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C17H24O4/c1-13(2)17(18)19-12-11-16(20-14-7-3-4-8-14)21-15-9-5-6-10-15/h7,9,16H,1,3-6,8,10-12H2,2H3
InChIKeyLGZFBHZZZZDDJO-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.99
Rot. Bonds8

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

3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate (PubChem CID 18458446) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate
PubChem CID18458446
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C17H24O4/c1-13(2)17(18)19-12-11-16(20-14-7-3-4-8-14)21-15-9-5-6-10-15/h7,9,16H,1,3-6,8,10-12H2,2H3
InChIKeyLGZFBHZZZZDDJO-UHFFFAOYSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate (CID 18458446) is 3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate?
The InChIKey is LGZFBHZZZZDDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-13(2)17(18)19-12-11-16(20-14-7-3-4-8-14)21-15-9-5-6-10-15/h7,9,16H,1,3-6,8,10-12H2,2H3.
What are the key properties of 3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate?
3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 18458446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).