1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate

C14H18O6 — CID 140582368

IUPAC1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate
SMILESC=CC(=O)OC(CC)(OC(=O)C=C)OC(=O)C(=C)CC
InChIInChI=1S/C14H18O6/c1-6-10(5)13(17)20-14(9-4,18-11(15)7-2)19-12(16)8-3/h7-8H,2-3,5-6,9H2,1,4H3
InChIKeyUCQSQKZWZDDPOS-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.02
Rot. Bonds8

About 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate

1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate (PubChem CID 140582368) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate.

Molecular Properties

Compound Name1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate
PubChem CID140582368
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate
SMILESC=CC(=O)OC(CC)(OC(=O)C=C)OC(=O)C(=C)CC
InChIInChI=1S/C14H18O6/c1-6-10(5)13(17)20-14(9-4,18-11(15)7-2)19-12(16)8-3/h7-8H,2-3,5-6,9H2,1,4H3
InChIKeyUCQSQKZWZDDPOS-UHFFFAOYSA-N
XLogP2.02
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Butyl 2-methylidenepent-4-enoate
CID 20187280
Propane trimethacrylate
CID 53435526
Butenediol dimethacrylate
CID 54163044
Methyl propane triacrylate
CID 140354856
2,2-Dimethyl-6-oxo-5-prop-2-enyl-1,3-dioxin-4-olate
CID 101130250
2-Prop-2-enoyloxybutan-2-yl 2-methylprop-2-enoate
CID 17961018
1,1-Bis(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 18699540
1-Prop-2-enoyloxybutyl 2-methylprop-2-enoate
CID 19702428
Bis(2-methylidenebutanoyloxy)methyl 2-methylidenebutanoate
CID 19706233
Butyl 2-methylprop-2-enoate;1-methoxyethyl prop-2-enoate
CID 20193348
Allyloxypropanediol Dimethacrylate
CID 20220160
bis(2-methylidenebutanoyl) (E)-but-2-enedioate
CID 21538856

Frequently Asked Questions

What is the IUPAC name of 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate?
The IUPAC name of 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate (CID 140582368) is 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate.
What is the SMILES notation for 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate?
The canonical SMILES for 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate is C=CC(=O)OC(CC)(OC(=O)C=C)OC(=O)C(=C)CC.
What is the InChIKey of 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate?
The InChIKey is UCQSQKZWZDDPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-6-10(5)13(17)20-14(9-4,18-11(15)7-2)19-12(16)8-3/h7-8H,2-3,5-6,9H2,1,4H3.
What are the key properties of 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate?
1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate has a molecular weight of 282.29 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(prop-2-enoyloxy)propyl 2-methylidenebutanoate is sourced from PubChem (CID 140582368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).