tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol

C23H34O — CID 123202129

IUPACtricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol
SMILESOc1c2cccc1CCCCCCCC1CC1=CCCCCCC2
InChIInChI=1S/C23H34O/c24-23-19-12-7-3-1-5-9-14-21-18-22(21)15-10-6-2-4-8-13-20(23)17-11-16-19/h11,14,16-17,22,24H,1-10,12-13,15,18H2
InChIKeyOATSYRBOXGIYJU-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.73
Rot. Bonds

About tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol

tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol (PubChem CID 123202129) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol.

Molecular Properties

Compound Nametricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol
PubChem CID123202129
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Nametricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol
SMILESOc1c2cccc1CCCCCCCC1CC1=CCCCCCC2
InChIInChI=1S/C23H34O/c24-23-19-12-7-3-1-5-9-14-21-18-22(21)15-10-6-2-4-8-13-20(23)17-11-16-19/h11,14,16-17,22,24H,1-10,12-13,15,18H2
InChIKeyOATSYRBOXGIYJU-UHFFFAOYSA-N
XLogP6.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol?
The IUPAC name of tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol (CID 123202129) is tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol.
What is the SMILES notation for tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol?
The canonical SMILES for tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol is Oc1c2cccc1CCCCCCCC1CC1=CCCCCCC2.
What is the InChIKey of tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol?
The InChIKey is OATSYRBOXGIYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O/c24-23-19-12-7-3-1-5-9-14-21-18-22(21)15-10-6-2-4-8-13-20(23)17-11-16-19/h11,14,16-17,22,24H,1-10,12-13,15,18H2.
What are the key properties of tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol?
tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol has a molecular weight of 326.52 g/mol, XLogP of 6.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[17.3.1.09,11]tricosa-1(22),8,19(23),20-tetraen-23-ol is sourced from PubChem (CID 123202129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).