(3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol

C15H27NO — CID 166671625

IUPAC(3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol
SMILESCC/C(C)=C(\O)CC=C/C=C/C[C@H](C)N(C)C
InChIInChI=1S/C15H27NO/c1-6-13(2)15(17)12-10-8-7-9-11-14(3)16(4)5/h7-10,14,17H,6,11-12H2,1-5H3/b9-7+,10-8?,15-13-/t14-/m0/s1
InChIKeyOWDNUZIURRKQGV-FKKHFZSYSA-N
MW237.39 g/mol
LogP4.07
Rot. Bonds7

About (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol

(3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol (PubChem CID 166671625) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol.

Molecular Properties

Compound Name(3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol
PubChem CID166671625
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol
SMILESCC/C(C)=C(\O)CC=C/C=C/C[C@H](C)N(C)C
InChIInChI=1S/C15H27NO/c1-6-13(2)15(17)12-10-8-7-9-11-14(3)16(4)5/h7-10,14,17H,6,11-12H2,1-5H3/b9-7+,10-8?,15-13-/t14-/m0/s1
InChIKeyOWDNUZIURRKQGV-FKKHFZSYSA-N
XLogP4.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol?
The IUPAC name of (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol (CID 166671625) is (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol.
What is the SMILES notation for (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol?
The canonical SMILES for (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol is CC/C(C)=C(\O)CC=C/C=C/C[C@H](C)N(C)C.
What is the InChIKey of (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol?
The InChIKey is OWDNUZIURRKQGV-FKKHFZSYSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-13(2)15(17)12-10-8-7-9-11-14(3)16(4)5/h7-10,14,17H,6,11-12H2,1-5H3/b9-7+,10-8?,15-13-/t14-/m0/s1.
What are the key properties of (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol?
(3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol has a molecular weight of 237.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol is sourced from PubChem (CID 166671625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).