3-hydroxyheptadecanal

C17H34O2 — CID 15268158

IUPAC3-hydroxyheptadecanal
SMILESCCCCCCCCCCCCCCC(O)CC=O
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18/h16-17,19H,2-15H2,1H3
InChIKeyNFZPDVULCYXALY-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.03
Rot. Bonds15

About 3-hydroxyheptadecanal

3-hydroxyheptadecanal (PubChem CID 15268158) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-hydroxyheptadecanal.

Molecular Properties

Compound Name3-hydroxyheptadecanal
PubChem CID15268158
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name3-hydroxyheptadecanal
SMILESCCCCCCCCCCCCCCC(O)CC=O
InChIInChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18/h16-17,19H,2-15H2,1H3
InChIKeyNFZPDVULCYXALY-UHFFFAOYSA-N
XLogP5.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.03
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'}

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Related Compounds

(3S)-3-hydroxyheptanal
CID 15258469
3-hydroxyhexadec-9-enal
CID 175100822
3-hydroxytetradec-9-enal
CID 91388067
3,8-dihydroxyoctanal
CID 91337771
(E)-12-hydroxyoctadec-9-enal
CID 87273358
(4R)-dodec-1-en-4-ol
CID 11074077
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
tetracosan-6-ol
CID 154265400
icosan-9-ol
CID 11983377
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyheptadecanal?
The IUPAC name of 3-hydroxyheptadecanal (CID 15268158) is 3-hydroxyheptadecanal.
What is the SMILES notation for 3-hydroxyheptadecanal?
The canonical SMILES for 3-hydroxyheptadecanal is CCCCCCCCCCCCCCC(O)CC=O.
What is the InChIKey of 3-hydroxyheptadecanal?
The InChIKey is NFZPDVULCYXALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18/h16-17,19H,2-15H2,1H3.
What are the key properties of 3-hydroxyheptadecanal?
3-hydroxyheptadecanal has a molecular weight of 270.46 g/mol, XLogP of 5.03, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyheptadecanal is sourced from PubChem (CID 15268158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).