(8E)-6-methyl-1-azacyclododec-8-en-6-ol

C12H23NO — CID 163651300

IUPAC(8E)-6-methyl-1-azacyclododec-8-en-6-ol
SMILESCC1(O)C/C=C/CCCNCCCC1
InChIInChI=1S/C12H23NO/c1-12(14)8-4-2-3-6-10-13-11-7-5-9-12/h2,4,13-14H,3,5-11H2,1H3/b4-2+
InChIKeyIMMHSKWLZQOGBQ-DUXPYHPUSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds

About (8E)-6-methyl-1-azacyclododec-8-en-6-ol

(8E)-6-methyl-1-azacyclododec-8-en-6-ol (PubChem CID 163651300) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (8E)-6-methyl-1-azacyclododec-8-en-6-ol.

Molecular Properties

Compound Name(8E)-6-methyl-1-azacyclododec-8-en-6-ol
PubChem CID163651300
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(8E)-6-methyl-1-azacyclododec-8-en-6-ol
SMILESCC1(O)C/C=C/CCCNCCCC1
InChIInChI=1S/C12H23NO/c1-12(14)8-4-2-3-6-10-13-11-7-5-9-12/h2,4,13-14H,3,5-11H2,1H3/b4-2+
InChIKeyIMMHSKWLZQOGBQ-DUXPYHPUSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (8E)-6-methyl-1-azacyclododec-8-en-6-ol?
The IUPAC name of (8E)-6-methyl-1-azacyclododec-8-en-6-ol (CID 163651300) is (8E)-6-methyl-1-azacyclododec-8-en-6-ol.
What is the SMILES notation for (8E)-6-methyl-1-azacyclododec-8-en-6-ol?
The canonical SMILES for (8E)-6-methyl-1-azacyclododec-8-en-6-ol is CC1(O)C/C=C/CCCNCCCC1.
What is the InChIKey of (8E)-6-methyl-1-azacyclododec-8-en-6-ol?
The InChIKey is IMMHSKWLZQOGBQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(14)8-4-2-3-6-10-13-11-7-5-9-12/h2,4,13-14H,3,5-11H2,1H3/b4-2+.
What are the key properties of (8E)-6-methyl-1-azacyclododec-8-en-6-ol?
(8E)-6-methyl-1-azacyclododec-8-en-6-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-6-methyl-1-azacyclododec-8-en-6-ol is sourced from PubChem (CID 163651300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).