(2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate

C11H18O3 — CID 141413968

IUPAC(2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CCCO1
InChIInChI=1S/C11H18O3/c1-8(2)10(12)14-11(9(3)4)6-5-7-13-11/h9H,1,5-7H2,2-4H3
InChIKeyUPXHXDMTHWCMIX-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.27
Rot. Bonds3

About (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate

(2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate (PubChem CID 141413968) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate
PubChem CID141413968
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CCCO1
InChIInChI=1S/C11H18O3/c1-8(2)10(12)14-11(9(3)4)6-5-7-13-11/h9H,1,5-7H2,2-4H3
InChIKeyUPXHXDMTHWCMIX-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(4-Butyl-2-oxo-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
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(2-Butyloxolan-2-yl) 2-methylprop-2-enoate
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[2,5-Dimethyl-1-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate
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3-(Oxolan-3-yl)pentan-3-yl 2-methylprop-2-enoate
CID 58734464
[1-(3-Methylbutoxy)cyclohexyl] 2-methylprop-2-enoate
CID 68734121
Cyclopentylmethoxymethyl 2-methylprop-2-enoate
CID 89593316
(1-Ethoxy-3-methylcyclopentyl) 2-methylprop-2-enoate
CID 139605389
2-(2-Ethylhexoxy)propan-2-yl 2-methylprop-2-enoate
CID 139797933
2-Hexoxypropan-2-yl 2-methylprop-2-enoate
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(1-Hexoxy-3-methylbutyl) 2-methylprop-2-enoate
CID 139797938

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate (CID 141413968) is (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)CCCO1.
What is the InChIKey of (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate?
The InChIKey is UPXHXDMTHWCMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)10(12)14-11(9(3)4)6-5-7-13-11/h9H,1,5-7H2,2-4H3.
What are the key properties of (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate?
(2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxolan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 141413968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).