6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene

C26H20O2 — CID 58411330

IUPAC6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
SMILESCCc1cc2cc3ccc4c5cc6oc(CC)cc6cc5ccc4c3cc2o1
InChIInChI=1S/C26H20O2/c1-3-19-11-17-9-15-5-7-22-21(23(15)13-25(17)27-19)8-6-16-10-18-12-20(4-2)28-26(18)14-24(16)22/h5-14H,3-4H2,1-2H3
InChIKeyMVJCGRLNVNUXCT-UHFFFAOYSA-N
MW364.44 g/mol
LogP7.76
Rot. Bonds2

About 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene

6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene (PubChem CID 58411330) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene.

Molecular Properties

Compound Name6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
PubChem CID58411330
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
SMILESCCc1cc2cc3ccc4c5cc6oc(CC)cc6cc5ccc4c3cc2o1
InChIInChI=1S/C26H20O2/c1-3-19-11-17-9-15-5-7-22-21(23(15)13-25(17)27-19)8-6-16-10-18-12-20(4-2)28-26(18)14-24(16)22/h5-14H,3-4H2,1-2H3
InChIKeyMVJCGRLNVNUXCT-UHFFFAOYSA-N
XLogP7.76
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The IUPAC name of 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene (CID 58411330) is 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene.
What is the SMILES notation for 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The canonical SMILES for 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene is CCc1cc2cc3ccc4c5cc6oc(CC)cc6cc5ccc4c3cc2o1.
What is the InChIKey of 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
The InChIKey is MVJCGRLNVNUXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c1-3-19-11-17-9-15-5-7-22-21(23(15)13-25(17)27-19)8-6-16-10-18-12-20(4-2)28-26(18)14-24(16)22/h5-14H,3-4H2,1-2H3.
What are the key properties of 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene?
6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene has a molecular weight of 364.44 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene is sourced from PubChem (CID 58411330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).