(Z)-1-(dimethylamino)icos-11-en-2-ol

C22H45NO — CID 90344729

IUPAC(Z)-1-(dimethylamino)icos-11-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC(O)CN(C)C
InChIInChI=1S/C22H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)21-23(2)3/h11-12,22,24H,4-10,13-21H2,1-3H3/b12-11-
InChIKeyYDTQFRZEIZSEGC-QXMHVHEDSA-N
MW339.61 g/mol
LogP6.34
Rot. Bonds18

About (Z)-1-(dimethylamino)icos-11-en-2-ol

(Z)-1-(dimethylamino)icos-11-en-2-ol (PubChem CID 90344729) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is (Z)-1-(dimethylamino)icos-11-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(dimethylamino)icos-11-en-2-ol
PubChem CID90344729
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name(Z)-1-(dimethylamino)icos-11-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC(O)CN(C)C
InChIInChI=1S/C22H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)21-23(2)3/h11-12,22,24H,4-10,13-21H2,1-3H3/b12-11-
InChIKeyYDTQFRZEIZSEGC-QXMHVHEDSA-N
XLogP6.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.34
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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Related Compounds

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1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol
CID 89311398
octadec-9-ene-1,2-diol
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(Z)-octadec-10-en-8-ol
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(Z)-pentadec-8-en-6-ol
CID 10398809
(E,10S)-henicos-7-en-10-ol
CID 14607531
(E)-hentetracont-36-en-5-ol
CID 87492179
henicosa-6,15-dien-10-ol
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1-(dimethylamino)-4-[(9Z,12Z)-10-ethyloctadeca-9,12-dienoxy]butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(dimethylamino)icos-11-en-2-ol?
The IUPAC name of (Z)-1-(dimethylamino)icos-11-en-2-ol (CID 90344729) is (Z)-1-(dimethylamino)icos-11-en-2-ol.
What is the SMILES notation for (Z)-1-(dimethylamino)icos-11-en-2-ol?
The canonical SMILES for (Z)-1-(dimethylamino)icos-11-en-2-ol is CCCCCCCC/C=C\CCCCCCCCC(O)CN(C)C.
What is the InChIKey of (Z)-1-(dimethylamino)icos-11-en-2-ol?
The InChIKey is YDTQFRZEIZSEGC-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)21-23(2)3/h11-12,22,24H,4-10,13-21H2,1-3H3/b12-11-.
What are the key properties of (Z)-1-(dimethylamino)icos-11-en-2-ol?
(Z)-1-(dimethylamino)icos-11-en-2-ol has a molecular weight of 339.61 g/mol, XLogP of 6.34, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(dimethylamino)icos-11-en-2-ol is sourced from PubChem (CID 90344729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).