[1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate

C19H28O4 — CID 19417888

IUPAC[1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC1=CCCC1)(OC1=CCCC1)C(C)(C)C
InChIInChI=1S/C19H28O4/c1-14(2)17(20)23-19(18(3,4)5,21-15-10-6-7-11-15)22-16-12-8-9-13-16/h10,12H,1,6-9,11,13H2,2-5H3
InChIKeyXGOWCJQGONVJCO-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.97
Rot. Bonds6

About [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate

[1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate (PubChem CID 19417888) has the molecular formula C19H28O4 and a molecular weight of 320.43 g/mol. Its IUPAC name is [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate
PubChem CID19417888
Molecular FormulaC19H28O4
Molecular Weight320.43 g/mol
Exact Mass320.20
IUPAC Name[1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC1=CCCC1)(OC1=CCCC1)C(C)(C)C
InChIInChI=1S/C19H28O4/c1-14(2)17(20)23-19(18(3,4)5,21-15-10-6-7-11-15)22-16-12-8-9-13-16/h10,12H,1,6-9,11,13H2,2-5H3
InChIKeyXGOWCJQGONVJCO-UHFFFAOYSA-N
XLogP4.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.97
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 [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate?
The IUPAC name of [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate (CID 19417888) is [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate?
The canonical SMILES for [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(OC1=CCCC1)(OC1=CCCC1)C(C)(C)C.
What is the InChIKey of [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate?
The InChIKey is XGOWCJQGONVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4/c1-14(2)17(20)23-19(18(3,4)5,21-15-10-6-7-11-15)22-16-12-8-9-13-16/h10,12H,1,6-9,11,13H2,2-5H3.
What are the key properties of [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate?
[1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate has a molecular weight of 320.43 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-di(cyclopenten-1-yloxy)-2,2-dimethylpropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 19417888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).