(E)-4-hydroxydec-2-enal

C10H18O2 — CID 6439956

IUPAC(E)-4-hydroxydec-2-enal
SMILESCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C10H18O2/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8-10,12H,2-5,7H2,1H3/b8-6+
InChIKeyHDQZDHGXJUBNIK-SOFGYWHQSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds7

About (E)-4-hydroxydec-2-enal

(E)-4-hydroxydec-2-enal (PubChem CID 6439956) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-4-hydroxydec-2-enal.

Molecular Properties

Compound Name(E)-4-hydroxydec-2-enal
PubChem CID6439956
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-4-hydroxydec-2-enal
SMILESCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C10H18O2/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8-10,12H,2-5,7H2,1H3/b8-6+
InChIKeyHDQZDHGXJUBNIK-SOFGYWHQSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxynonadec-2-enal
CID 3025773
4-hydroxyoctadec-2-enal
CID 3025772
(4S)-4-hydroxynon-2-enal
CID 173082436
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
(Z)-undec-2-en-4-ol
CID 14320443
(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061
octadec-3-en-5-ol
CID 144649733
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
4-hydroxyheptacos-2-enoic acid
CID 88698148

Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxydec-2-enal?
The IUPAC name of (E)-4-hydroxydec-2-enal (CID 6439956) is (E)-4-hydroxydec-2-enal.
What is the SMILES notation for (E)-4-hydroxydec-2-enal?
The canonical SMILES for (E)-4-hydroxydec-2-enal is CCCCCCC(O)/C=C/C=O.
What is the InChIKey of (E)-4-hydroxydec-2-enal?
The InChIKey is HDQZDHGXJUBNIK-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8-10,12H,2-5,7H2,1H3/b8-6+.
What are the key properties of (E)-4-hydroxydec-2-enal?
(E)-4-hydroxydec-2-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 (E)-4-hydroxydec-2-enal is sourced from PubChem (CID 6439956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).