(Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol

C13H25NO — CID 130195067

IUPAC(Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol
SMILESCCC(O)/C(C/C=C\C(C)C(C)C)=N/C
InChIInChI=1S/C13H25NO/c1-6-13(15)12(14-5)9-7-8-11(4)10(2)3/h7-8,10-11,13,15H,6,9H2,1-5H3/b8-7-,14-12+
InChIKeyGKCJWXRRCVRNIH-SXOVAMJMSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds6

About (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol

(Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol (PubChem CID 130195067) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol.

Molecular Properties

Compound Name(Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol
PubChem CID130195067
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol
SMILESCCC(O)/C(C/C=C\C(C)C(C)C)=N/C
InChIInChI=1S/C13H25NO/c1-6-13(15)12(14-5)9-7-8-11(4)10(2)3/h7-8,10-11,13,15H,6,9H2,1-5H3/b8-7-,14-12+
InChIKeyGKCJWXRRCVRNIH-SXOVAMJMSA-N
XLogP3.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol?
The IUPAC name of (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol (CID 130195067) is (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol.
What is the SMILES notation for (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol?
The canonical SMILES for (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol is CCC(O)/C(C/C=C\C(C)C(C)C)=N/C.
What is the InChIKey of (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol?
The InChIKey is GKCJWXRRCVRNIH-SXOVAMJMSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-13(15)12(14-5)9-7-8-11(4)10(2)3/h7-8,10-11,13,15H,6,9H2,1-5H3/b8-7-,14-12+.
What are the key properties of (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol?
(Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol has a molecular weight of 211.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8,9-dimethyl-4-methyliminodec-6-en-3-ol is sourced from PubChem (CID 130195067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).