3-hydroxytetradec-9-enal

C14H26O2 — CID 91388067

IUPAC3-hydroxytetradec-9-enal
SMILESCCCCC=CCCCCCC(O)CC=O
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h5-6,13-14,16H,2-4,7-12H2,1H3
InChIKeyDSXPUCBOFKYUIT-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.63
Rot. Bonds11

About 3-hydroxytetradec-9-enal

3-hydroxytetradec-9-enal (PubChem CID 91388067) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-hydroxytetradec-9-enal.

Molecular Properties

Compound Name3-hydroxytetradec-9-enal
PubChem CID91388067
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-hydroxytetradec-9-enal
SMILESCCCCC=CCCCCCC(O)CC=O
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h5-6,13-14,16H,2-4,7-12H2,1H3
InChIKeyDSXPUCBOFKYUIT-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.63
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-hydroxytetradec-9-enal 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

3-hydroxyhexadec-9-enal
CID 175100822
3-hydroxyheptadecanal
CID 15268158
(E)-12-hydroxyoctadec-9-enal
CID 87273358
(Z,3R)-3-hydroxydodec-5-enal
CID 173358964
(Z)-octadec-10-en-8-ol
CID 173051806
(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
(3S)-3-hydroxyheptanal
CID 15258469
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
(Z)-tridec-8-en-6-ol
CID 170849340
octacos-21-en-10-ol
CID 163011476

Frequently Asked Questions

What is the IUPAC name of 3-hydroxytetradec-9-enal?
The IUPAC name of 3-hydroxytetradec-9-enal (CID 91388067) is 3-hydroxytetradec-9-enal.
What is the SMILES notation for 3-hydroxytetradec-9-enal?
The canonical SMILES for 3-hydroxytetradec-9-enal is CCCCC=CCCCCCC(O)CC=O.
What is the InChIKey of 3-hydroxytetradec-9-enal?
The InChIKey is DSXPUCBOFKYUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h5-6,13-14,16H,2-4,7-12H2,1H3.
What are the key properties of 3-hydroxytetradec-9-enal?
3-hydroxytetradec-9-enal has a molecular weight of 226.36 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxytetradec-9-enal is sourced from PubChem (CID 91388067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).