[7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol

C24H32O2 — CID 139797019

IUPAC[7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol
SMILESOCC1C(CO)C2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C24H32O2/c25-7-17-11-4-12(18(17)8-26)22-16-6-15(21(11)22)23-13-5-14(24(16)23)20-10-2-1-9(3-10)19(13)20/h1-2,9-26H,3-8H2
InChIKeyLAMQWEPIBDOVCD-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.06
Rot. Bonds2

About [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol

[7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol (PubChem CID 139797019) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol.

Molecular Properties

Compound Name[7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol
PubChem CID139797019
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name[7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol
SMILESOCC1C(CO)C2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31
InChIInChI=1S/C24H32O2/c25-7-17-11-4-12(18(17)8-26)22-16-6-15(21(11)22)23-13-5-14(24(16)23)20-10-2-1-9(3-10)19(13)20/h1-2,9-26H,3-8H2
InChIKeyLAMQWEPIBDOVCD-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol?
The IUPAC name of [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol (CID 139797019) is [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol.
What is the SMILES notation for [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol?
The canonical SMILES for [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol is OCC1C(CO)C2CC1C1C3CC(C21)C1C2CC(C4C5C=CC(C5)C24)C31.
What is the InChIKey of [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol?
The InChIKey is LAMQWEPIBDOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c25-7-17-11-4-12(18(17)8-26)22-16-6-15(21(11)22)23-13-5-14(24(16)23)20-10-2-1-9(3-10)19(13)20/h1-2,9-26H,3-8H2.
What are the key properties of [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol?
[7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol has a molecular weight of 352.52 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(hydroxymethyl)-6-octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-15-enyl]methanol is sourced from PubChem (CID 139797019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).