(5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone

C10H4O10 — CID 151006147

IUPAC(5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone
SMILESO=C1/C=C\C(=O)OC(=O)OC(=O)/C=C\C(=O)OC(=O)O1
InChIInChI=1S/C10H4O10/c11-5-1-2-6(12)18-10(16)20-8(14)4-3-7(13)19-9(15)17-5/h1-4H/b2-1-,4-3-
InChIKeyLVCUTRXOBVESBQ-LOKDLIDFSA-N
MW284.13 g/mol
LogP-0.47
Rot. Bonds

About (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone

(5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone (PubChem CID 151006147) has the molecular formula C10H4O10 and a molecular weight of 284.13 g/mol. Its IUPAC name is (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone.

Molecular Properties

Compound Name(5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone
PubChem CID151006147
Molecular FormulaC10H4O10
Molecular Weight284.13 g/mol
Exact Mass283.98
IUPAC Name(5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone
SMILESO=C1/C=C\C(=O)OC(=O)OC(=O)/C=C\C(=O)OC(=O)O1
InChIInChI=1S/C10H4O10/c11-5-1-2-6(12)18-10(16)20-8(14)4-3-7(13)19-9(15)17-5/h1-4H/b2-1-,4-3-
InChIKeyLVCUTRXOBVESBQ-LOKDLIDFSA-N
XLogP-0.47
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone?
The IUPAC name of (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone (CID 151006147) is (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone.
What is the SMILES notation for (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone?
The canonical SMILES for (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone is O=C1/C=C\C(=O)OC(=O)OC(=O)/C=C\C(=O)OC(=O)O1.
What is the InChIKey of (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone?
The InChIKey is LVCUTRXOBVESBQ-LOKDLIDFSA-N. The full InChI is InChI=1S/C10H4O10/c11-5-1-2-6(12)18-10(16)20-8(14)4-3-7(13)19-9(15)17-5/h1-4H/b2-1-,4-3-.
What are the key properties of (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone?
(5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone has a molecular weight of 284.13 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone is sourced from PubChem (CID 151006147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).