6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

C28H22O2 — CID 118153185

IUPAC6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)oc1cc2ccc(C4CCCCC4)cc2cc13
InChIInChI=1S/C28H22O2/c1-2-6-17(7-3-1)18-10-11-19-14-26-22(13-20(19)12-18)24-16-27-23(15-28(24)30-26)21-8-4-5-9-25(21)29-27/h4-5,8-17H,1-3,6-7H2
InChIKeyLOBWDRQSMRKMRU-UHFFFAOYSA-N
MW390.48 g/mol
LogP8.69
Rot. Bonds1

About 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (PubChem CID 118153185) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.

Molecular Properties

Compound Name6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
PubChem CID118153185
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
SMILESc1ccc2c(c1)oc1cc3c(cc12)oc1cc2ccc(C4CCCCC4)cc2cc13
InChIInChI=1S/C28H22O2/c1-2-6-17(7-3-1)18-10-11-19-14-26-22(13-20(19)12-18)24-16-27-23(15-28(24)30-26)21-8-4-5-9-25(21)29-27/h4-5,8-17H,1-3,6-7H2
InChIKeyLOBWDRQSMRKMRU-UHFFFAOYSA-N
XLogP8.69
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The IUPAC name of 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene (CID 118153185) is 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene.
What is the SMILES notation for 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The canonical SMILES for 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is c1ccc2c(c1)oc1cc3c(cc12)oc1cc2ccc(C4CCCCC4)cc2cc13.
What is the InChIKey of 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
The InChIKey is LOBWDRQSMRKMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-2-6-17(7-3-1)18-10-11-19-14-26-22(13-20(19)12-18)24-16-27-23(15-28(24)30-26)21-8-4-5-9-25(21)29-27/h4-5,8-17H,1-3,6-7H2.
What are the key properties of 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene?
6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene has a molecular weight of 390.48 g/mol, XLogP of 8.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene is sourced from PubChem (CID 118153185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).