(Z,9S)-9-hydroxydec-5-enal

C10H18O2 — CID 11041152

IUPAC(Z,9S)-9-hydroxydec-5-enal
SMILESC[C@H](O)CC/C=C\CCCC=O
InChIInChI=1S/C10H18O2/c1-10(12)8-6-4-2-3-5-7-9-11/h2,4,9-10,12H,3,5-8H2,1H3/b4-2-/t10-/m0/s1
InChIKeyXEOHMCDMXCHRSU-GQPNGRKGSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds7

About (Z,9S)-9-hydroxydec-5-enal

(Z,9S)-9-hydroxydec-5-enal (PubChem CID 11041152) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z,9S)-9-hydroxydec-5-enal.

Molecular Properties

Compound Name(Z,9S)-9-hydroxydec-5-enal
PubChem CID11041152
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z,9S)-9-hydroxydec-5-enal
SMILESC[C@H](O)CC/C=C\CCCC=O
InChIInChI=1S/C10H18O2/c1-10(12)8-6-4-2-3-5-7-9-11/h2,4,9-10,12H,3,5-8H2,1H3/b4-2-/t10-/m0/s1
InChIKeyXEOHMCDMXCHRSU-GQPNGRKGSA-N
XLogP2.07
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 ≤ 52.07
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

12-hydroxytridecanal
CID 11961599
tetracos-5-en-2-ol
CID 173208999
(E)-dodec-5-en-2-ol
CID 10511710
(E)-6-hydroxyhept-2-enal
CID 102460202
7-hydroxyoct-3-enoic acid
CID 85299253
(E,7R)-7-hydroxyoct-2-enal
CID 131236706
(E,2S)-non-6-en-2-ol
CID 12835465
(Z)-non-6-en-2-ol
CID 12835464
(E)-14-methylhexadec-8-enal
CID 6073809
(Z)-tridec-7-en-2-ol
CID 89138962
(E,2R)-dec-7-en-2-ol
CID 89151124
(Z)-hept-5-enal
CID 12625719

Frequently Asked Questions

What is the IUPAC name of (Z,9S)-9-hydroxydec-5-enal?
The IUPAC name of (Z,9S)-9-hydroxydec-5-enal (CID 11041152) is (Z,9S)-9-hydroxydec-5-enal.
What is the SMILES notation for (Z,9S)-9-hydroxydec-5-enal?
The canonical SMILES for (Z,9S)-9-hydroxydec-5-enal is C[C@H](O)CC/C=C\CCCC=O.
What is the InChIKey of (Z,9S)-9-hydroxydec-5-enal?
The InChIKey is XEOHMCDMXCHRSU-GQPNGRKGSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(12)8-6-4-2-3-5-7-9-11/h2,4,9-10,12H,3,5-8H2,1H3/b4-2-/t10-/m0/s1.
What are the key properties of (Z,9S)-9-hydroxydec-5-enal?
(Z,9S)-9-hydroxydec-5-enal has a molecular weight of 170.25 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,9S)-9-hydroxydec-5-enal is sourced from PubChem (CID 11041152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).