6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one

C23H26O8 — CID 10094207

IUPAC6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one
SMILESO=c1c2c3cccc2oc2cccc(c12)OCCOCCOCCOCCOCCO3
InChIInChI=1S/C23H26O8/c24-23-21-17-3-1-5-19(21)31-20-6-2-4-18(22(20)23)30-16-14-28-12-10-26-8-7-25-9-11-27-13-15-29-17/h1-6H,7-16H2
InChIKeyHVUGTXDVMOPRQK-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.78
Rot. Bonds

About 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one

6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one (PubChem CID 10094207) has the molecular formula C23H26O8 and a molecular weight of 430.45 g/mol. Its IUPAC name is 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one.

Molecular Properties

Compound Name6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one
PubChem CID10094207
Molecular FormulaC23H26O8
Molecular Weight430.45 g/mol
Exact Mass430.16
IUPAC Name6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one
SMILESO=c1c2c3cccc2oc2cccc(c12)OCCOCCOCCOCCOCCO3
InChIInChI=1S/C23H26O8/c24-23-21-17-3-1-5-19(21)31-20-6-2-4-18(22(20)23)30-16-14-28-12-10-26-8-7-25-9-11-27-13-15-29-17/h1-6H,7-16H2
InChIKeyHVUGTXDVMOPRQK-UHFFFAOYSA-N
XLogP2.78
TPSA85.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one?
The IUPAC name of 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one (CID 10094207) is 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one.
What is the SMILES notation for 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one?
The canonical SMILES for 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one is O=c1c2c3cccc2oc2cccc(c12)OCCOCCOCCOCCOCCO3.
What is the InChIKey of 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one?
The InChIKey is HVUGTXDVMOPRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O8/c24-23-21-17-3-1-5-19(21)31-20-6-2-4-18(22(20)23)30-16-14-28-12-10-26-8-7-25-9-11-27-13-15-29-17/h1-6H,7-16H2.
What are the key properties of 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one?
6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one has a molecular weight of 430.45 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,12,15,18,21,30-heptaoxatetracyclo[24.3.1.05,29.022,27]triaconta-1(29),2,4,22,24,26-hexaen-28-one is sourced from PubChem (CID 10094207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).