bis(prop-2-enyl) propanedioate;deca-1,9-diene

C19H30O4 — CID 174429542

IUPACbis(prop-2-enyl) propanedioate;deca-1,9-diene
SMILESC=CCCCCCCC=C.C=CCOC(=O)CC(=O)OCC=C
InChIInChI=1S/C10H18.C9H12O4/c1-3-5-7-9-10-8-6-4-2;1-3-5-12-8(10)7-9(11)13-6-4-2/h3-4H,1-2,5-10H2;3-4H,1-2,5-7H2
InChIKeyIJVKLXGBXCUVQO-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.53
Rot. Bonds13

About bis(prop-2-enyl) propanedioate;deca-1,9-diene

bis(prop-2-enyl) propanedioate;deca-1,9-diene (PubChem CID 174429542) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is bis(prop-2-enyl) propanedioate;deca-1,9-diene.

Molecular Properties

Compound Namebis(prop-2-enyl) propanedioate;deca-1,9-diene
PubChem CID174429542
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Namebis(prop-2-enyl) propanedioate;deca-1,9-diene
SMILESC=CCCCCCCC=C.C=CCOC(=O)CC(=O)OCC=C
InChIInChI=1S/C10H18.C9H12O4/c1-3-5-7-9-10-8-6-4-2;1-3-5-12-8(10)7-9(11)13-6-4-2/h3-4H,1-2,5-10H2;3-4H,1-2,5-7H2
InChIKeyIJVKLXGBXCUVQO-UHFFFAOYSA-N
XLogP4.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
ethyl 3-oxodec-9-enoate
CID 10036105
nonadec-18-enamide
CID 166991988
dec-9-eneperoxoic acid
CID 177164421
prop-2-enyl 4-hydroxy-3-methylbut-3-enoate
CID 173153016
bis(dec-9-enyl) (Z)-but-2-enedioate
CID 86753272
bis(prop-2-enyl) propanedioate;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
CID 70588479
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
2-methyl-N-undec-10-enoxyprop-2-enamide
CID 102118216
prop-2-enyl (7Z,10Z,13Z,16Z)-icosa-7,10,13,16,19-pentaenoate
CID 154963431

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) propanedioate;deca-1,9-diene?
The IUPAC name of bis(prop-2-enyl) propanedioate;deca-1,9-diene (CID 174429542) is bis(prop-2-enyl) propanedioate;deca-1,9-diene.
What is the SMILES notation for bis(prop-2-enyl) propanedioate;deca-1,9-diene?
The canonical SMILES for bis(prop-2-enyl) propanedioate;deca-1,9-diene is C=CCCCCCCC=C.C=CCOC(=O)CC(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) propanedioate;deca-1,9-diene?
The InChIKey is IJVKLXGBXCUVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C9H12O4/c1-3-5-7-9-10-8-6-4-2;1-3-5-12-8(10)7-9(11)13-6-4-2/h3-4H,1-2,5-10H2;3-4H,1-2,5-7H2.
What are the key properties of bis(prop-2-enyl) propanedioate;deca-1,9-diene?
bis(prop-2-enyl) propanedioate;deca-1,9-diene has a molecular weight of 322.45 g/mol, XLogP of 4.53, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) propanedioate;deca-1,9-diene is sourced from PubChem (CID 174429542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).