3-hydroxydec-3-enal

C10H18O2 — CID 174452166

IUPAC3-hydroxydec-3-enal
SMILESCCCCCCC=C(O)CC=O
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-10(12)8-9-11/h7,9,12H,2-6,8H2,1H3
InChIKeyQVGUQCUSBBUQND-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.99
Rot. Bonds7

About 3-hydroxydec-3-enal

3-hydroxydec-3-enal (PubChem CID 174452166) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-hydroxydec-3-enal.

Molecular Properties

Compound Name3-hydroxydec-3-enal
PubChem CID174452166
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-hydroxydec-3-enal
SMILESCCCCCCC=C(O)CC=O
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-10(12)8-9-11/h7,9,12H,2-6,8H2,1H3
InChIKeyQVGUQCUSBBUQND-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxytetradec-4-enoic acid
CID 88697585
(Z)-tetradec-5-en-5-ol
CID 129379563
octatriacont-11-en-12-ol
CID 156905019
hexatriacont-17-en-18-ol
CID 173290872
carbonic acid;dodecanal
CID 87947916
undec-1-ene-1,1-diol
CID 87556705
decanal;decane
CID 157361056
2-nonadecylidenepropanedioic acid
CID 19832661
2-formyldec-2-enoic acid
CID 175590598
ruthenium;tridecanal
CID 175429355
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794

Frequently Asked Questions

What is the IUPAC name of 3-hydroxydec-3-enal?
The IUPAC name of 3-hydroxydec-3-enal (CID 174452166) is 3-hydroxydec-3-enal.
What is the SMILES notation for 3-hydroxydec-3-enal?
The canonical SMILES for 3-hydroxydec-3-enal is CCCCCCC=C(O)CC=O.
What is the InChIKey of 3-hydroxydec-3-enal?
The InChIKey is QVGUQCUSBBUQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-7-10(12)8-9-11/h7,9,12H,2-6,8H2,1H3.
What are the key properties of 3-hydroxydec-3-enal?
3-hydroxydec-3-enal has a molecular weight of 170.25 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxydec-3-enal is sourced from PubChem (CID 174452166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).