(E)-12-pyridin-3-yldodec-3-en-1-ol

C17H27NO — CID 11043541

IUPAC(E)-12-pyridin-3-yldodec-3-en-1-ol
SMILESOCC/C=C/CCCCCCCCc1cccnc1
InChIInChI=1S/C17H27NO/c19-15-10-8-6-4-2-1-3-5-7-9-12-17-13-11-14-18-16-17/h6,8,11,13-14,16,19H,1-5,7,9-10,12,15H2/b8-6+
InChIKeyDIHVCHMGBLBKIW-SOFGYWHQSA-N
MW261.41 g/mol
LogP4.29
Rot. Bonds11

About (E)-12-pyridin-3-yldodec-3-en-1-ol

(E)-12-pyridin-3-yldodec-3-en-1-ol (PubChem CID 11043541) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (E)-12-pyridin-3-yldodec-3-en-1-ol.

Molecular Properties

Compound Name(E)-12-pyridin-3-yldodec-3-en-1-ol
PubChem CID11043541
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(E)-12-pyridin-3-yldodec-3-en-1-ol
SMILESOCC/C=C/CCCCCCCCc1cccnc1
InChIInChI=1S/C17H27NO/c19-15-10-8-6-4-2-1-3-5-7-9-12-17-13-11-14-18-16-17/h6,8,11,13-14,16,19H,1-5,7,9-10,12,15H2/b8-6+
InChIKeyDIHVCHMGBLBKIW-SOFGYWHQSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.29
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'}

Analyze (E)-12-pyridin-3-yldodec-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-pyridin-3-yloctan-1-ol
CID 11830623
3-[(E)-7-iodohept-6-enyl]pyridine
CID 11833526
(Z)-18-pyridin-3-yloctadec-9-enamide
CID 122703819
(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
CID 23426295
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050
(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
CID 10061128
tert-butyl N-[(E)-12-pyridin-3-yldodec-3-enyl]carbamate
CID 11142934
argon;2-pyridin-3-ylethanol
CID 159015973
8-pyridin-3-yloctane-1-sulfonic acid
CID 102468636
3-(14-methylpentadecyl)pyridine
CID 19697272
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217

Frequently Asked Questions

What is the IUPAC name of (E)-12-pyridin-3-yldodec-3-en-1-ol?
The IUPAC name of (E)-12-pyridin-3-yldodec-3-en-1-ol (CID 11043541) is (E)-12-pyridin-3-yldodec-3-en-1-ol.
What is the SMILES notation for (E)-12-pyridin-3-yldodec-3-en-1-ol?
The canonical SMILES for (E)-12-pyridin-3-yldodec-3-en-1-ol is OCC/C=C/CCCCCCCCc1cccnc1.
What is the InChIKey of (E)-12-pyridin-3-yldodec-3-en-1-ol?
The InChIKey is DIHVCHMGBLBKIW-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H27NO/c19-15-10-8-6-4-2-1-3-5-7-9-12-17-13-11-14-18-16-17/h6,8,11,13-14,16,19H,1-5,7,9-10,12,15H2/b8-6+.
What are the key properties of (E)-12-pyridin-3-yldodec-3-en-1-ol?
(E)-12-pyridin-3-yldodec-3-en-1-ol has a molecular weight of 261.41 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-pyridin-3-yldodec-3-en-1-ol is sourced from PubChem (CID 11043541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).