6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene

C29H24O2 — CID 126657898

IUPAC6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
SMILESCc1ccc2oc3cc4c(cc3c2c1)oc1cc2ccc(C3CCCCC3)cc2cc14
InChIInChI=1S/C29H24O2/c1-17-7-10-26-22(11-17)24-15-29-25(16-28(24)30-26)23-13-21-12-19(18-5-3-2-4-6-18)8-9-20(21)14-27(23)31-29/h7-16,18H,2-6H2,1H3
InChIKeyVOZNOEAJYMLTRD-UHFFFAOYSA-N
MW404.51 g/mol
LogP8.99
Rot. Bonds1

About 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene

6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene (PubChem CID 126657898) has the molecular formula C29H24O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene.

Molecular Properties

Compound Name6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
PubChem CID126657898
Molecular FormulaC29H24O2
Molecular Weight404.51 g/mol
Exact Mass404.18
IUPAC Name6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
SMILESCc1ccc2oc3cc4c(cc3c2c1)oc1cc2ccc(C3CCCCC3)cc2cc14
InChIInChI=1S/C29H24O2/c1-17-7-10-26-22(11-17)24-15-29-25(16-28(24)30-26)23-13-21-12-19(18-5-3-2-4-6-18)8-9-20(21)14-27(23)31-29/h7-16,18H,2-6H2,1H3
InChIKeyVOZNOEAJYMLTRD-UHFFFAOYSA-N
XLogP8.99
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene with MolForge

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Related Compounds

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CID 118153185
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8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 147127485
6-cyclohexyl-1,2,3,4-tetrahydroanthracene
CID 141269352
iodomethane;methanethiol;methanol;18-methoxy-7-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 144582557
6-cyclohexyl-10-methylnaphtho[2,1-b][1]benzofuran;2-methylnaphtho[2,3-b][1]benzofuran;8-methylnaphtho[1,2-b][1]benzofuran;17-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;10-methyl-6-phenylnaphtho[2,1-b][1]benzofuran
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6-cyclohexylnaphthalen-2-ol
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CID 67100251
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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene?
The IUPAC name of 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene (CID 126657898) is 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene.
What is the SMILES notation for 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene?
The canonical SMILES for 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene is Cc1ccc2oc3cc4c(cc3c2c1)oc1cc2ccc(C3CCCCC3)cc2cc14.
What is the InChIKey of 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene?
The InChIKey is VOZNOEAJYMLTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O2/c1-17-7-10-26-22(11-17)24-15-29-25(16-28(24)30-26)23-13-21-12-19(18-5-3-2-4-6-18)8-9-20(21)14-27(23)31-29/h7-16,18H,2-6H2,1H3.
What are the key properties of 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene?
6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene has a molecular weight of 404.51 g/mol, XLogP of 8.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 126657898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).