1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate

C17H24O4 — CID 19417887

IUPAC1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(COC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C17H24O4/c1-13(2)16(18)21-17(3,20-15-10-6-7-11-15)12-19-14-8-4-5-9-14/h8,10H,1,4-7,9,11-12H2,2-3H3
InChIKeyKUWWKDCYCKUTLA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.99
Rot. Bonds7

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

1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate (PubChem CID 19417887) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate
PubChem CID19417887
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(COC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C17H24O4/c1-13(2)16(18)21-17(3,20-15-10-6-7-11-15)12-19-14-8-4-5-9-14/h8,10H,1,4-7,9,11-12H2,2-3H3
InChIKeyKUWWKDCYCKUTLA-UHFFFAOYSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate (CID 19417887) is 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(COC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate?
The InChIKey is KUWWKDCYCKUTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-13(2)16(18)21-17(3,20-15-10-6-7-11-15)12-19-14-8-4-5-9-14/h8,10H,1,4-7,9,11-12H2,2-3H3.
What are the key properties of 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate?
1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclopenten-1-yloxy)propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 19417887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).