1-prop-2-enoyloxybut-3-enyl prop-2-enoate

C10H12O4 — CID 175962743

IUPAC1-prop-2-enoyloxybut-3-enyl prop-2-enoate
SMILESC=CCC(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C10H12O4/c1-4-7-10(13-8(11)5-2)14-9(12)6-3/h4-6,10H,1-3,7H2
InChIKeyMNSKBVZAUUVRKC-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.35
Rot. Bonds6

About 1-prop-2-enoyloxybut-3-enyl prop-2-enoate

1-prop-2-enoyloxybut-3-enyl prop-2-enoate (PubChem CID 175962743) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-prop-2-enoyloxybut-3-enyl prop-2-enoate.

Molecular Properties

Compound Name1-prop-2-enoyloxybut-3-enyl prop-2-enoate
PubChem CID175962743
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-prop-2-enoyloxybut-3-enyl prop-2-enoate
SMILESC=CCC(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C10H12O4/c1-4-7-10(13-8(11)5-2)14-9(12)6-3/h4-6,10H,1-3,7H2
InChIKeyMNSKBVZAUUVRKC-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyloxybut-3-enyl prop-2-enoate?
The IUPAC name of 1-prop-2-enoyloxybut-3-enyl prop-2-enoate (CID 175962743) is 1-prop-2-enoyloxybut-3-enyl prop-2-enoate.
What is the SMILES notation for 1-prop-2-enoyloxybut-3-enyl prop-2-enoate?
The canonical SMILES for 1-prop-2-enoyloxybut-3-enyl prop-2-enoate is C=CCC(OC(=O)C=C)OC(=O)C=C.
What is the InChIKey of 1-prop-2-enoyloxybut-3-enyl prop-2-enoate?
The InChIKey is MNSKBVZAUUVRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-4-7-10(13-8(11)5-2)14-9(12)6-3/h4-6,10H,1-3,7H2.
What are the key properties of 1-prop-2-enoyloxybut-3-enyl prop-2-enoate?
1-prop-2-enoyloxybut-3-enyl prop-2-enoate has a molecular weight of 196.20 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyloxybut-3-enyl prop-2-enoate is sourced from PubChem (CID 175962743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).