3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid

C14H24O3 — CID 151375987

IUPAC3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid
SMILESCOCC(C)(C)C1(C=C(C)C(=O)O)CCCC1
InChIInChI=1S/C14H24O3/c1-11(12(15)16)9-14(7-5-6-8-14)13(2,3)10-17-4/h9H,5-8,10H2,1-4H3,(H,15,16)
InChIKeyORKOBBMYXYFYOI-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.25
Rot. Bonds5

About 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid

3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid (PubChem CID 151375987) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid
PubChem CID151375987
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid
SMILESCOCC(C)(C)C1(C=C(C)C(=O)O)CCCC1
InChIInChI=1S/C14H24O3/c1-11(12(15)16)9-14(7-5-6-8-14)13(2,3)10-17-4/h9H,5-8,10H2,1-4H3,(H,15,16)
InChIKeyORKOBBMYXYFYOI-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
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 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid (CID 151375987) is 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid is COCC(C)(C)C1(C=C(C)C(=O)O)CCCC1.
What is the InChIKey of 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid?
The InChIKey is ORKOBBMYXYFYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(12(15)16)9-14(7-5-6-8-14)13(2,3)10-17-4/h9H,5-8,10H2,1-4H3,(H,15,16).
What are the key properties of 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid?
3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid has a molecular weight of 240.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 151375987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).