4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol

C20H39NO — CID 91119558

IUPAC4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol
SMILESCC1(C)CCCCCC(C2CCCCCC(C)(O)CC2)NC1
InChIInChI=1S/C20H39NO/c1-19(2)13-8-5-7-11-18(21-16-19)17-10-6-4-9-14-20(3,22)15-12-17/h17-18,21-22H,4-16H2,1-3H3
InChIKeyOMHZSMSOIDOXMP-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.05
Rot. Bonds1

About 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol

4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol (PubChem CID 91119558) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol.

Molecular Properties

Compound Name4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol
PubChem CID91119558
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol
SMILESCC1(C)CCCCCC(C2CCCCCC(C)(O)CC2)NC1
InChIInChI=1S/C20H39NO/c1-19(2)13-8-5-7-11-18(21-16-19)17-10-6-4-9-14-20(3,22)15-12-17/h17-18,21-22H,4-16H2,1-3H3
InChIKeyOMHZSMSOIDOXMP-UHFFFAOYSA-N
XLogP5.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol?
The IUPAC name of 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol (CID 91119558) is 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol.
What is the SMILES notation for 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol?
The canonical SMILES for 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol is CC1(C)CCCCCC(C2CCCCCC(C)(O)CC2)NC1.
What is the InChIKey of 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol?
The InChIKey is OMHZSMSOIDOXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-19(2)13-8-5-7-11-18(21-16-19)17-10-6-4-9-14-20(3,22)15-12-17/h17-18,21-22H,4-16H2,1-3H3.
What are the key properties of 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol?
4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol has a molecular weight of 309.54 g/mol, XLogP of 5.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,8-dimethylazonan-2-yl)-1-methylcyclononan-1-ol is sourced from PubChem (CID 91119558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).