(12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol

C23H45NO — CID 130349194

IUPAC(12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(O)CN(C)C
InChIInChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(2)3/h8-9,11-12,23,25H,4-7,10,13-22H2,1-3H3/b9-8-,12-11-
InChIKeyMZCZDKFOYXHLRG-MURFETPASA-N
MW351.62 g/mol
LogP6.50
Rot. Bonds18

About (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol

(12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol (PubChem CID 130349194) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol.

Molecular Properties

Compound Name(12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol
PubChem CID130349194
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name(12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(O)CN(C)C
InChIInChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(2)3/h8-9,11-12,23,25H,4-7,10,13-22H2,1-3H3/b9-8-,12-11-
InChIKeyMZCZDKFOYXHLRG-MURFETPASA-N
XLogP6.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol?
The IUPAC name of (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol (CID 130349194) is (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol.
What is the SMILES notation for (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol?
The canonical SMILES for (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol is CCCCC/C=C\C/C=C\CCCCCCCCCC(O)CN(C)C.
What is the InChIKey of (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol?
The InChIKey is MZCZDKFOYXHLRG-MURFETPASA-N. The full InChI is InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(2)3/h8-9,11-12,23,25H,4-7,10,13-22H2,1-3H3/b9-8-,12-11-.
What are the key properties of (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol?
(12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol has a molecular weight of 351.62 g/mol, XLogP of 6.50, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z,15Z)-1-(dimethylamino)henicosa-12,15-dien-2-ol is sourced from PubChem (CID 130349194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).