6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol

C23H30O — CID 139797080

IUPAC6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol
SMILESOCC1CC2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C23H30O/c24-8-12-4-11-5-13(12)21-17-7-16(20(11)21)22-14-6-15(23(17)22)19-10-2-1-9(3-10)18(14)19/h1-2,9-24H,3-8H2
InChIKeyJFWOKRSUEGNRJC-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.84
Rot. Bonds1

About 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol

6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol (PubChem CID 139797080) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol.

Molecular Properties

Compound Name6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol
PubChem CID139797080
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol
SMILESOCC1CC2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C23H30O/c24-8-12-4-11-5-13(12)21-17-7-16(20(11)21)22-14-6-15(23(17)22)19-10-2-1-9(3-10)18(14)19/h1-2,9-24H,3-8H2
InChIKeyJFWOKRSUEGNRJC-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.84
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 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol?
The IUPAC name of 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol (CID 139797080) is 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol.
What is the SMILES notation for 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol?
The canonical SMILES for 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol is OCC1CC2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31.
What is the InChIKey of 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol?
The InChIKey is JFWOKRSUEGNRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c24-8-12-4-11-5-13(12)21-17-7-16(20(11)21)22-14-6-15(23(17)22)19-10-2-1-9(3-10)18(14)19/h1-2,9-24H,3-8H2.
What are the key properties of 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol?
6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol has a molecular weight of 322.49 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enylmethanol is sourced from PubChem (CID 139797080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).