2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid

C15H24O4 — CID 23547713

IUPAC2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid
SMILESC=CC(=O)OC1(C(=O)O)CCC(C(C)C)C1C(C)C
InChIInChI=1S/C15H24O4/c1-6-12(16)19-15(14(17)18)8-7-11(9(2)3)13(15)10(4)5/h6,9-11,13H,1,7-8H2,2-5H3,(H,17,18)
InChIKeyYLXRPIGSHWLRIE-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.88
Rot. Bonds5

About 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid

2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid (PubChem CID 23547713) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid
PubChem CID23547713
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid
SMILESC=CC(=O)OC1(C(=O)O)CCC(C(C)C)C1C(C)C
InChIInChI=1S/C15H24O4/c1-6-12(16)19-15(14(17)18)8-7-11(9(2)3)13(15)10(4)5/h6,9-11,13H,1,7-8H2,2-5H3,(H,17,18)
InChIKeyYLXRPIGSHWLRIE-UHFFFAOYSA-N
XLogP2.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid?
The IUPAC name of 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid (CID 23547713) is 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid?
The canonical SMILES for 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid is C=CC(=O)OC1(C(=O)O)CCC(C(C)C)C1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid?
The InChIKey is YLXRPIGSHWLRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-12(16)19-15(14(17)18)8-7-11(9(2)3)13(15)10(4)5/h6,9-11,13H,1,7-8H2,2-5H3,(H,17,18).
What are the key properties of 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid?
2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid has a molecular weight of 268.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-1-prop-2-enoyloxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 23547713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).