(3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione

C16H24O4 — CID 90670753

IUPAC(3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione
SMILESCCCCCC/C=C\CCC/C(O)=C1\C(=O)COC1=O
InChIInChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-10-11-13(17)15-14(18)12-20-16(15)19/h7-8,17H,2-6,9-12H2,1H3/b8-7-,15-13-
InChIKeyVYQSEBYJEPKUTH-PHJBAXJRSA-N
MW280.36 g/mol
LogP3.62
Rot. Bonds9

About (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione

(3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione (PubChem CID 90670753) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione
PubChem CID90670753
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione
SMILESCCCCCC/C=C\CCC/C(O)=C1\C(=O)COC1=O
InChIInChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-10-11-13(17)15-14(18)12-20-16(15)19/h7-8,17H,2-6,9-12H2,1H3/b8-7-,15-13-
InChIKeyVYQSEBYJEPKUTH-PHJBAXJRSA-N
XLogP3.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione?
The IUPAC name of (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione (CID 90670753) is (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione.
What is the SMILES notation for (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione?
The canonical SMILES for (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione is CCCCCC/C=C\CCC/C(O)=C1\C(=O)COC1=O.
What is the InChIKey of (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione?
The InChIKey is VYQSEBYJEPKUTH-PHJBAXJRSA-N. The full InChI is InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-10-11-13(17)15-14(18)12-20-16(15)19/h7-8,17H,2-6,9-12H2,1H3/b8-7-,15-13-.
What are the key properties of (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione?
(3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione has a molecular weight of 280.36 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-1-hydroxydodec-5-enylidene]oxolane-2,4-dione is sourced from PubChem (CID 90670753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).