2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate

C15H18O4 — CID 150056408

IUPAC2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate
SMILESCCCOC(=O)c1ccccc1C(=O)OC=C(C)C
InChIInChI=1S/C15H18O4/c1-4-9-18-14(16)12-7-5-6-8-13(12)15(17)19-10-11(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyDMKBZHQXGOMNCS-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.33
Rot. Bonds5

About 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate

2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate (PubChem CID 150056408) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate
PubChem CID150056408
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate
SMILESCCCOC(=O)c1ccccc1C(=O)OC=C(C)C
InChIInChI=1S/C15H18O4/c1-4-9-18-14(16)12-7-5-6-8-13(12)15(17)19-10-11(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyDMKBZHQXGOMNCS-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-O-(3-methylbut-2-enyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6423572
propyl 2-methylperoxycarbonylbenzoate
CID 151434775
2-O-nonyl 1-O-propyl benzene-1,2-dicarboxylate
CID 525243
propyl 2-methylbenzoate
CID 23432654
dibutyl benzene-1,2-dicarboxylate
CID 69108201
1-O-propyl 2-O-(trihydroxymethyl) benzene-1,2-dicarboxylate
CID 174844226
2-[2-(2-methylprop-1-enoxy)ethoxycarbonyl]benzoic acid
CID 150151301
propyl 2-(methyliminomethyl)benzoate
CID 145402515
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
ethane;propyl 2-bromobenzoate
CID 90697369
2-O-butyl 1-O-propyl benzene-1,2-dicarboxylate;2-hydroxyacetic acid
CID 160618888

Frequently Asked Questions

What is the IUPAC name of 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate?
The IUPAC name of 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate (CID 150056408) is 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate?
The canonical SMILES for 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate is CCCOC(=O)c1ccccc1C(=O)OC=C(C)C.
What is the InChIKey of 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate?
The InChIKey is DMKBZHQXGOMNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-9-18-14(16)12-7-5-6-8-13(12)15(17)19-10-11(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate?
2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate has a molecular weight of 262.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2-methylprop-1-enyl) 1-O-propyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 150056408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).