2-ethyl-10-hydroxydodecanal

C14H28O2 — CID 89281841

IUPAC2-ethyl-10-hydroxydodecanal
SMILESCCC(O)CCCCCCCC(C=O)CC
InChIInChI=1S/C14H28O2/c1-3-13(12-15)10-8-6-5-7-9-11-14(16)4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyBIMVDMLRCRHXRD-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.71
Rot. Bonds11

About 2-ethyl-10-hydroxydodecanal

2-ethyl-10-hydroxydodecanal (PubChem CID 89281841) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethyl-10-hydroxydodecanal.

Molecular Properties

Compound Name2-ethyl-10-hydroxydodecanal
PubChem CID89281841
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-ethyl-10-hydroxydodecanal
SMILESCCC(O)CCCCCCCC(C=O)CC
InChIInChI=1S/C14H28O2/c1-3-13(12-15)10-8-6-5-7-9-11-14(16)4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyBIMVDMLRCRHXRD-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-10-hydroxydodecanal 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

Hydroxycitronellal
CID 7888
3-(Hydroxymethyl)-2-octanone
CID 62148
Serricornin
CID 194454
2-Nonanone, 3-(hydroxymethyl)-
CID 106823
(S)-7-hydroxy-3,7-dimethyloctanal
CID 1715134
6-Hydroxy-2,6-dimethylheptanal
CID 20554059
Cyclopentanone, 2-(1-hydroxyheptyl)-
CID 11008912
6-Dodecanone, 5,8-diethyl-7-hydroxy-
CID 169366
2-(3-Hydroxypropyl)cyclododecanone
CID 10130987
3-Hydroxy-2-methyltridecan-4-one
CID 57398496
29-Hydroxy-3,11-dimethyl-2-nonacosanone
CID 205990
6-Hydroxy-3,7-dimethyloctanoic acid
CID 23422948

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-hydroxydodecanal?
The IUPAC name of 2-ethyl-10-hydroxydodecanal (CID 89281841) is 2-ethyl-10-hydroxydodecanal.
What is the SMILES notation for 2-ethyl-10-hydroxydodecanal?
The canonical SMILES for 2-ethyl-10-hydroxydodecanal is CCC(O)CCCCCCCC(C=O)CC.
What is the InChIKey of 2-ethyl-10-hydroxydodecanal?
The InChIKey is BIMVDMLRCRHXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-13(12-15)10-8-6-5-7-9-11-14(16)4-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-10-hydroxydodecanal?
2-ethyl-10-hydroxydodecanal has a molecular weight of 228.38 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-hydroxydodecanal is sourced from PubChem (CID 89281841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).