11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol

C28H38O — CID 139797185

IUPAC11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol
SMILESOC1CC2CC1C1C3CC(C21)C1(C2CCCCC2)C2CC(C4C5C=CC(C5)C42)C31
InChIInChI=1S/C28H38O/c29-22-10-15-9-17(22)26-19-12-21(25(15)26)28(16-4-2-1-3-5-16)20-11-18(27(19)28)23-13-6-7-14(8-13)24(20)23/h6-7,13-27,29H,1-5,8-12H2
InChIKeyXZJHNSWDMRGLNY-UHFFFAOYSA-N
MW390.61 g/mol
LogP5.54
Rot. Bonds1

About 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol

11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol (PubChem CID 139797185) has the molecular formula C28H38O and a molecular weight of 390.61 g/mol. Its IUPAC name is 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol.

Molecular Properties

Compound Name11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol
PubChem CID139797185
Molecular FormulaC28H38O
Molecular Weight390.61 g/mol
Exact Mass390.29
IUPAC Name11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol
SMILESOC1CC2CC1C1C3CC(C21)C1(C2CCCCC2)C2CC(C4C5C=CC(C5)C42)C31
InChIInChI=1S/C28H38O/c29-22-10-15-9-17(22)26-19-12-21(25(15)26)28(16-4-2-1-3-5-16)20-11-18(27(19)28)23-13-6-7-14(8-13)24(20)23/h6-7,13-27,29H,1-5,8-12H2
InChIKeyXZJHNSWDMRGLNY-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol?
The IUPAC name of 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol (CID 139797185) is 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol.
What is the SMILES notation for 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol?
The canonical SMILES for 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol is OC1CC2CC1C1C3CC(C21)C1(C2CCCCC2)C2CC(C4C5C=CC(C5)C42)C31.
What is the InChIKey of 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol?
The InChIKey is XZJHNSWDMRGLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O/c29-22-10-15-9-17(22)26-19-12-21(25(15)26)28(16-4-2-1-3-5-16)20-11-18(27(19)28)23-13-6-7-14(8-13)24(20)23/h6-7,13-27,29H,1-5,8-12H2.
What are the key properties of 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol?
11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol has a molecular weight of 390.61 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexyloctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-en-6-ol is sourced from PubChem (CID 139797185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).