18-hydroxy-2-prop-2-enyloctadecanal

C21H40O2 — CID 173140058

IUPAC18-hydroxy-2-prop-2-enyloctadecanal
SMILESC=CCC(C=O)CCCCCCCCCCCCCCCCO
InChIInChI=1S/C21H40O2/c1-2-17-21(20-23)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-22/h2,20-22H,1,3-19H2
InChIKeyHZTMKURFMILVNV-UHFFFAOYSA-N
MW324.55 g/mol
LogP6.22
Rot. Bonds19

About 18-hydroxy-2-prop-2-enyloctadecanal

18-hydroxy-2-prop-2-enyloctadecanal (PubChem CID 173140058) has the molecular formula C21H40O2 and a molecular weight of 324.55 g/mol. Its IUPAC name is 18-hydroxy-2-prop-2-enyloctadecanal.

Molecular Properties

Compound Name18-hydroxy-2-prop-2-enyloctadecanal
PubChem CID173140058
Molecular FormulaC21H40O2
Molecular Weight324.55 g/mol
Exact Mass324.30
IUPAC Name18-hydroxy-2-prop-2-enyloctadecanal
SMILESC=CCC(C=O)CCCCCCCCCCCCCCCCO
InChIInChI=1S/C21H40O2/c1-2-17-21(20-23)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-22/h2,20-22H,1,3-19H2
InChIKeyHZTMKURFMILVNV-UHFFFAOYSA-N
XLogP6.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.22
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'}

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Related Compounds

2-prop-2-enyloctadecanal
CID 173235739
5-aminooct-7-en-1-ol
CID 130023332
5-formyloct-7-enoic acid
CID 87783752
(2R)-2-ethenylhexane-1,6-diol
CID 130621473
9-hydroxy-2-methylnonanal
CID 140839746
15-hydroxy-2-methylpentadecanal
CID 140839749
3,8-dihydroxyoctanal
CID 91337771
9-formyloctadecanedioic acid
CID 118354608
2-propyldodec-11-enal
CID 142653916
(2S)-6-hydroxy-2-methylhexanal
CID 129362666
4-chlorohept-6-en-1-ol
CID 89276992
3-hydroxypropyl 2-formylpent-4-enoate
CID 57091353

Frequently Asked Questions

What is the IUPAC name of 18-hydroxy-2-prop-2-enyloctadecanal?
The IUPAC name of 18-hydroxy-2-prop-2-enyloctadecanal (CID 173140058) is 18-hydroxy-2-prop-2-enyloctadecanal.
What is the SMILES notation for 18-hydroxy-2-prop-2-enyloctadecanal?
The canonical SMILES for 18-hydroxy-2-prop-2-enyloctadecanal is C=CCC(C=O)CCCCCCCCCCCCCCCCO.
What is the InChIKey of 18-hydroxy-2-prop-2-enyloctadecanal?
The InChIKey is HZTMKURFMILVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2/c1-2-17-21(20-23)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-22/h2,20-22H,1,3-19H2.
What are the key properties of 18-hydroxy-2-prop-2-enyloctadecanal?
18-hydroxy-2-prop-2-enyloctadecanal has a molecular weight of 324.55 g/mol, XLogP of 6.22, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxy-2-prop-2-enyloctadecanal is sourced from PubChem (CID 173140058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).