bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate

C20H30O10 — CID 59346220

IUPACbis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate
SMILESC=CC(=O)OCCOCCOC(=O)CCCCC(=O)OCCOCCOC(=O)C=C
InChIInChI=1S/C20H30O10/c1-3-17(21)27-13-9-25-11-15-29-19(23)7-5-6-8-20(24)30-16-12-26-10-14-28-18(22)4-2/h3-4H,1-2,5-16H2
InChIKeyVLVJVQSGEQWQKO-UHFFFAOYSA-N
MW430.45 g/mol
LogP1.12
Rot. Bonds19

About bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate

bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate (PubChem CID 59346220) has the molecular formula C20H30O10 and a molecular weight of 430.45 g/mol. Its IUPAC name is bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate.

Molecular Properties

Compound Namebis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate
PubChem CID59346220
Molecular FormulaC20H30O10
Molecular Weight430.45 g/mol
Exact Mass430.18
IUPAC Namebis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate
SMILESC=CC(=O)OCCOCCOC(=O)CCCCC(=O)OCCOCCOC(=O)C=C
InChIInChI=1S/C20H30O10/c1-3-17(21)27-13-9-25-11-15-29-19(23)7-5-6-8-20(24)30-16-12-26-10-14-28-18(22)4-2/h3-4H,1-2,5-16H2
InChIKeyVLVJVQSGEQWQKO-UHFFFAOYSA-N
XLogP1.12
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 18139
CID 18139
CID 3018935
CID 3018935
CID 59793344
CID 59793344
CID 4438228
CID 4438228
CID 14880668
CID 14880668
CID 15936995
CID 15936995
CID 53896682
CID 53896682
CID 58807582
CID 58807582
CID 66771653
CID 66771653
CID 132234056
CID 132234056
CID 19008511
CID 19008511
CID 90238349
CID 90238349

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate?
The IUPAC name of bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate (CID 59346220) is bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate.
What is the SMILES notation for bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate?
The canonical SMILES for bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate is C=CC(=O)OCCOCCOC(=O)CCCCC(=O)OCCOCCOC(=O)C=C.
What is the InChIKey of bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate?
The InChIKey is VLVJVQSGEQWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O10/c1-3-17(21)27-13-9-25-11-15-29-19(23)7-5-6-8-20(24)30-16-12-26-10-14-28-18(22)4-2/h3-4H,1-2,5-16H2.
What are the key properties of bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate?
bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate has a molecular weight of 430.45 g/mol, XLogP of 1.12, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-prop-2-enoyloxyethoxy)ethyl] hexanedioate is sourced from PubChem (CID 59346220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).