bis(pent-4-enyl) decanedioate

C20H34O4 — CID 91694638

IUPACbis(pent-4-enyl) decanedioate
SMILESC=CCCCOC(=O)CCCCCCCCC(=O)OCCCC=C
InChIInChI=1S/C20H34O4/c1-3-5-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18-14-6-4-2/h3-4H,1-2,5-18H2
InChIKeyZZKXHYGNRATKKE-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.13
Rot. Bonds17

About bis(pent-4-enyl) decanedioate

bis(pent-4-enyl) decanedioate (PubChem CID 91694638) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is bis(pent-4-enyl) decanedioate.

Molecular Properties

Compound Namebis(pent-4-enyl) decanedioate
PubChem CID91694638
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Namebis(pent-4-enyl) decanedioate
SMILESC=CCCCOC(=O)CCCCCCCCC(=O)OCCCC=C
InChIInChI=1S/C20H34O4/c1-3-5-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18-14-6-4-2/h3-4H,1-2,5-18H2
InChIKeyZZKXHYGNRATKKE-UHFFFAOYSA-N
XLogP5.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
pent-4-enyl pent-4-enoate
CID 86018729
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622
but-3-enyl hept-6-enoate
CID 86101121
2-hydroxyethyl dec-9-enoate
CID 87084822
1-O-ethyl 5-O-pent-4-enyl pentanedioate
CID 91718034
heptyl hept-6-enoate
CID 129220829
hexyl oct-7-enoate
CID 91748282
hex-5-enyl decanoate
CID 166881880
hept-6-enyl nonanoate
CID 146588194
hept-6-enyl hexacosanoate
CID 102118795
1-O-heptadecyl 5-O-pent-4-enyl pentanedioate
CID 91706418

Frequently Asked Questions

What is the IUPAC name of bis(pent-4-enyl) decanedioate?
The IUPAC name of bis(pent-4-enyl) decanedioate (CID 91694638) is bis(pent-4-enyl) decanedioate.
What is the SMILES notation for bis(pent-4-enyl) decanedioate?
The canonical SMILES for bis(pent-4-enyl) decanedioate is C=CCCCOC(=O)CCCCCCCCC(=O)OCCCC=C.
What is the InChIKey of bis(pent-4-enyl) decanedioate?
The InChIKey is ZZKXHYGNRATKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-3-5-13-17-23-19(21)15-11-9-7-8-10-12-16-20(22)24-18-14-6-4-2/h3-4H,1-2,5-18H2.
What are the key properties of bis(pent-4-enyl) decanedioate?
bis(pent-4-enyl) decanedioate has a molecular weight of 338.49 g/mol, XLogP of 5.13, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pent-4-enyl) decanedioate is sourced from PubChem (CID 91694638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).