(3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide

C23H43NO2 — CID 169175675

IUPAC(3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide
SMILESCC(C)/C=C\CCCC(=O)NCCO.CC/C=C\C/C=C\CCCCC
InChIInChI=1S/C12H22.C11H21NO2/c1-3-5-7-9-11-12-10-8-6-4-2;1-10(2)6-4-3-5-7-11(14)12-8-9-13/h5,7,11-12H,3-4,6,8-10H2,1-2H3;4,6,10,13H,3,5,7-9H2,1-2H3,(H,12,14)/b7-5-,12-11-;6-4-
InChIKeyUIZRAKYXGOJXKM-MUANLGRBSA-N
MW365.60 g/mol
LogP5.96
Rot. Bonds14

About (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide

(3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide (PubChem CID 169175675) has the molecular formula C23H43NO2 and a molecular weight of 365.60 g/mol. Its IUPAC name is (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide.

Molecular Properties

Compound Name(3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide
PubChem CID169175675
Molecular FormulaC23H43NO2
Molecular Weight365.60 g/mol
Exact Mass365.33
IUPAC Name(3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide
SMILESCC(C)/C=C\CCCC(=O)NCCO.CC/C=C\C/C=C\CCCCC
InChIInChI=1S/C12H22.C11H21NO2/c1-3-5-7-9-11-12-10-8-6-4-2;1-10(2)6-4-3-5-7-11(14)12-8-9-13/h5,7,11-12H,3-4,6,8-10H2,1-2H3;4,6,10,13H,3,5,7-9H2,1-2H3,(H,12,14)/b7-5-,12-11-;6-4-
InChIKeyUIZRAKYXGOJXKM-MUANLGRBSA-N
XLogP5.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.60
LogP ≤ 55.96
H-Bond Donors ≤ 52
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 (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide with MolForge

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Related Compounds

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459
N-(2-hydroxyethyl)icosa-5,8,11-trienamide
CID 4029
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
N-(3-hydroxyoctadec-4-enyl)icosa-5,8,11,14-tetraenamide
CID 91090526
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481
2-aminoethanol;(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane
CID 158737731
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-6-methylicosa-5,8,11,14-tetraenamide
CID 58545003
1,3-dihydroxypropan-2-yl icosanoate;(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
CID 137377427
N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
CID 1977

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide?
The IUPAC name of (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide (CID 169175675) is (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide.
What is the SMILES notation for (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide?
The canonical SMILES for (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide is CC(C)/C=C\CCCC(=O)NCCO.CC/C=C\C/C=C\CCCCC.
What is the InChIKey of (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide?
The InChIKey is UIZRAKYXGOJXKM-MUANLGRBSA-N. The full InChI is InChI=1S/C12H22.C11H21NO2/c1-3-5-7-9-11-12-10-8-6-4-2;1-10(2)6-4-3-5-7-11(14)12-8-9-13/h5,7,11-12H,3-4,6,8-10H2,1-2H3;4,6,10,13H,3,5,7-9H2,1-2H3,(H,12,14)/b7-5-,12-11-;6-4-.
What are the key properties of (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide?
(3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide has a molecular weight of 365.60 g/mol, XLogP of 5.96, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-dodeca-3,6-diene;(Z)-N-(2-hydroxyethyl)-7-methyloct-5-enamide is sourced from PubChem (CID 169175675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).