3-propan-2-yloxypropyl 2-methylprop-2-enoate

C10H18O3 — CID 23399612

IUPAC3-propan-2-yloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOC(C)C
InChIInChI=1S/C10H18O3/c1-8(2)10(11)13-7-5-6-12-9(3)4/h9H,1,5-7H2,2-4H3
InChIKeyQRIYVVKQVRKKRW-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds6

About 3-propan-2-yloxypropyl 2-methylprop-2-enoate

3-propan-2-yloxypropyl 2-methylprop-2-enoate (PubChem CID 23399612) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-propan-2-yloxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-propan-2-yloxypropyl 2-methylprop-2-enoate
PubChem CID23399612
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-propan-2-yloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCOC(C)C
InChIInChI=1S/C10H18O3/c1-8(2)10(11)13-7-5-6-12-9(3)4/h9H,1,5-7H2,2-4H3
InChIKeyQRIYVVKQVRKKRW-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
3-(1-silyloxyethoxy)propyl 2-methylprop-2-enoate
CID 173268591
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 20503506
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
4-methyl-3-[3-(2-methylprop-2-enoyloxy)propoxycarbonyl]-2-propan-2-ylpentanoic acid
CID 170189335
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxypropyl 2-methylprop-2-enoate?
The IUPAC name of 3-propan-2-yloxypropyl 2-methylprop-2-enoate (CID 23399612) is 3-propan-2-yloxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-propan-2-yloxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-propan-2-yloxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCOC(C)C.
What is the InChIKey of 3-propan-2-yloxypropyl 2-methylprop-2-enoate?
The InChIKey is QRIYVVKQVRKKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)10(11)13-7-5-6-12-9(3)4/h9H,1,5-7H2,2-4H3.
What are the key properties of 3-propan-2-yloxypropyl 2-methylprop-2-enoate?
3-propan-2-yloxypropyl 2-methylprop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 23399612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).