6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene

C34H36O2 — CID 58411511

IUPAC6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
SMILESCCCCCCCCCCCCc1coc2c1ccc1c3ccc4c(ccc5ccoc54)c3ccc12
InChIInChI=1S/C34H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-25-23-36-34-26(25)15-16-30-28-17-19-31-29(27(28)18-20-32(30)34)14-13-24-21-22-35-33(24)31/h13-23H,2-12H2,1H3
InChIKeyOKDBQELWPCJGPO-UHFFFAOYSA-N
MW476.66 g/mol
LogP11.10
Rot. Bonds11

About 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene

6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene (PubChem CID 58411511) has the molecular formula C34H36O2 and a molecular weight of 476.66 g/mol. Its IUPAC name is 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene.

Molecular Properties

Compound Name6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
PubChem CID58411511
Molecular FormulaC34H36O2
Molecular Weight476.66 g/mol
Exact Mass476.27
IUPAC Name6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
SMILESCCCCCCCCCCCCc1coc2c1ccc1c3ccc4c(ccc5ccoc54)c3ccc12
InChIInChI=1S/C34H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-25-23-36-34-26(25)15-16-30-28-17-19-31-29(27(28)18-20-32(30)34)14-13-24-21-22-35-33(24)31/h13-23H,2-12H2,1H3
InChIKeyOKDBQELWPCJGPO-UHFFFAOYSA-N
XLogP11.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene with MolForge

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Related Compounds

7-pentyl-1-benzofuran
CID 90916397
7,19-didodecyl-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;2,3-dimethylidenefuran
CID 143948978
1,6-dioctadecylpyrene
CID 59510038
8-octyl-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411222
7-butyl-1-benzofuran
CID 68789907
2,3,10,11-tetrahexylpicene
CID 58426532
3,4,9,10-tetradodecylpicene
CID 58426518
3-heptylfuran-2-amine
CID 90951825
(3-heptylfuran-2-yl)phosphane
CID 21095511
1-hexadecylpyrene
CID 12966317
2-methyl-3-pentylfuran
CID 12555082
4,9-dihexylpicene
CID 58426524

Frequently Asked Questions

What is the IUPAC name of 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene?
The IUPAC name of 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene (CID 58411511) is 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene.
What is the SMILES notation for 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene?
The canonical SMILES for 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene is CCCCCCCCCCCCc1coc2c1ccc1c3ccc4c(ccc5ccoc54)c3ccc12.
What is the InChIKey of 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene?
The InChIKey is OKDBQELWPCJGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-25-23-36-34-26(25)15-16-30-28-17-19-31-29(27(28)18-20-32(30)34)14-13-24-21-22-35-33(24)31/h13-23H,2-12H2,1H3.
What are the key properties of 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene?
6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene has a molecular weight of 476.66 g/mol, XLogP of 11.10, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecyl-8,20-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene is sourced from PubChem (CID 58411511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).