(E)-5-hydroxy-6-methyldec-2-enal

C11H20O2 — CID 87291408

IUPAC(E)-5-hydroxy-6-methyldec-2-enal
SMILESCCCCC(C)C(O)C/C=C/C=O
InChIInChI=1S/C11H20O2/c1-3-4-7-10(2)11(13)8-5-6-9-12/h5-6,9-11,13H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyXCBGSKGCAHWJTQ-AATRIKPKSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds7

About (E)-5-hydroxy-6-methyldec-2-enal

(E)-5-hydroxy-6-methyldec-2-enal (PubChem CID 87291408) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-hydroxy-6-methyldec-2-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-6-methyldec-2-enal
PubChem CID87291408
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-hydroxy-6-methyldec-2-enal
SMILESCCCCC(C)C(O)C/C=C/C=O
InChIInChI=1S/C11H20O2/c1-3-4-7-10(2)11(13)8-5-6-9-12/h5-6,9-11,13H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyXCBGSKGCAHWJTQ-AATRIKPKSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-3-methylheptan-2-ol
CID 122599053
(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
5-hydroxy-6,6-dimethylnon-2-enal
CID 123291920
5-methoxydec-2-enal
CID 71373552
(E,5S,6R)-6-methyldec-8-en-5-ol
CID 88893107
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684
7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615
5-methoxyheptadec-2-enal
CID 91518911
7,8-dimethylnon-2-enal
CID 91616525
(E,7R)-7-hydroxyoct-2-enal
CID 131236706
3-hydroxy-4,8-dimethylnonanal
CID 87291569

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-6-methyldec-2-enal?
The IUPAC name of (E)-5-hydroxy-6-methyldec-2-enal (CID 87291408) is (E)-5-hydroxy-6-methyldec-2-enal.
What is the SMILES notation for (E)-5-hydroxy-6-methyldec-2-enal?
The canonical SMILES for (E)-5-hydroxy-6-methyldec-2-enal is CCCCC(C)C(O)C/C=C/C=O.
What is the InChIKey of (E)-5-hydroxy-6-methyldec-2-enal?
The InChIKey is XCBGSKGCAHWJTQ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-7-10(2)11(13)8-5-6-9-12/h5-6,9-11,13H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of (E)-5-hydroxy-6-methyldec-2-enal?
(E)-5-hydroxy-6-methyldec-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-6-methyldec-2-enal is sourced from PubChem (CID 87291408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).