(Z)-8-hydroxy-4,8,9-trimethyldec-4-enal

C13H24O2 — CID 156834915

IUPAC(Z)-8-hydroxy-4,8,9-trimethyldec-4-enal
SMILESC/C(=C/CCC(C)(O)C(C)C)CCC=O
InChIInChI=1S/C13H24O2/c1-11(2)13(4,15)9-5-7-12(3)8-6-10-14/h7,10-11,15H,5-6,8-9H2,1-4H3/b12-7-
InChIKeyZGOQSRAXWXGEIB-GHXNOFRVSA-N
MW212.33 g/mol
LogP3.10
Rot. Bonds7

About (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal

(Z)-8-hydroxy-4,8,9-trimethyldec-4-enal (PubChem CID 156834915) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal.

Molecular Properties

Compound Name(Z)-8-hydroxy-4,8,9-trimethyldec-4-enal
PubChem CID156834915
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(Z)-8-hydroxy-4,8,9-trimethyldec-4-enal
SMILESC/C(=C/CCC(C)(O)C(C)C)CCC=O
InChIInChI=1S/C13H24O2/c1-11(2)13(4,15)9-5-7-12(3)8-6-10-14/h7,10-11,15H,5-6,8-9H2,1-4H3/b12-7-
InChIKeyZGOQSRAXWXGEIB-GHXNOFRVSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(5R)-5-hydroxy-5,6-dimethylheptan-2-one
CID 14824861
(4E,8E)-4,8,11,11-tetramethyldodeca-4,8-dienal;(5E,9E)-5,9,12,12-tetramethyltrideca-5,9-dien-2-one
CID 165057425
(6E,10S,11S,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,14,18,22-pentaene-10,11-diol
CID 10456150
(2E,6S,7S,10E,14E,18S,19S,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol
CID 101223934
4,4,8-trimethylnon-7-enal
CID 121006941
ethyl 2,6-dimethyl-9-oxonon-5-enoate
CID 165357841
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
(E)-9-bromo-4-methyl-8-oxonon-4-enal
CID 12944767
(E)-2,6,10-trimethylpentadec-9-en-6-ol
CID 129151559
(6E,10E)-2,6,10-trimethyl-14,14-bis(2-methylpropoxy)pentadeca-2,6,10-triene
CID 90239470
(4E,8E,12E)-4,5,12-trimethylhexadeca-4,8,12-trienal
CID 135190023

Frequently Asked Questions

What is the IUPAC name of (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal?
The IUPAC name of (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal (CID 156834915) is (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal.
What is the SMILES notation for (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal?
The canonical SMILES for (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal is C/C(=C/CCC(C)(O)C(C)C)CCC=O.
What is the InChIKey of (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal?
The InChIKey is ZGOQSRAXWXGEIB-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2)13(4,15)9-5-7-12(3)8-6-10-14/h7,10-11,15H,5-6,8-9H2,1-4H3/b12-7-.
What are the key properties of (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal?
(Z)-8-hydroxy-4,8,9-trimethyldec-4-enal has a molecular weight of 212.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-hydroxy-4,8,9-trimethyldec-4-enal is sourced from PubChem (CID 156834915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).