(Z)-2,6-dimethylnon-4-ene-3,4-diol

C11H22O2 — CID 155778289

IUPAC(Z)-2,6-dimethylnon-4-ene-3,4-diol
SMILESCCCC(C)/C=C(\O)C(O)C(C)C
InChIInChI=1S/C11H22O2/c1-5-6-9(4)7-10(12)11(13)8(2)3/h7-9,11-13H,5-6H2,1-4H3/b10-7-
InChIKeyLAZKRSRJXWDRAD-YFHOEESVSA-N
MW186.29 g/mol
LogP2.88
Rot. Bonds5

About (Z)-2,6-dimethylnon-4-ene-3,4-diol

(Z)-2,6-dimethylnon-4-ene-3,4-diol (PubChem CID 155778289) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (Z)-2,6-dimethylnon-4-ene-3,4-diol.

Molecular Properties

Compound Name(Z)-2,6-dimethylnon-4-ene-3,4-diol
PubChem CID155778289
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(Z)-2,6-dimethylnon-4-ene-3,4-diol
SMILESCCCC(C)/C=C(\O)C(O)C(C)C
InChIInChI=1S/C11H22O2/c1-5-6-9(4)7-10(12)11(13)8(2)3/h7-9,11-13H,5-6H2,1-4H3/b10-7-
InChIKeyLAZKRSRJXWDRAD-YFHOEESVSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3,5-dimethyloct-3-en-2-ol
CID 87272540
(E)-3,5-dimethyloct-3-ene
CID 169006712
(E)-5-methyloct-3-en-2-ol
CID 87272942
carbonic acid;3-methylhex-1-ene
CID 161181273
(2R)-pentan-2-ol
CID 7014876
(2E,4Z)-6-methylnona-2,4-dien-2-ol
CID 142891903
2-hydroxypentanethial
CID 54438498
2-methylpentanal;phenol
CID 174274492
(Z)-4-methylhept-2-ene
CID 5352649
2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane
CID 165015674
[(Z)-2-hydroxy-3-methylhex-1-enyl]-triphenylphosphanium
CID 177488102
(Z)-4-methyl-N-(4-methylpent-1-en-2-yl)hept-2-en-2-amine
CID 166959203

Frequently Asked Questions

What is the IUPAC name of (Z)-2,6-dimethylnon-4-ene-3,4-diol?
The IUPAC name of (Z)-2,6-dimethylnon-4-ene-3,4-diol (CID 155778289) is (Z)-2,6-dimethylnon-4-ene-3,4-diol.
What is the SMILES notation for (Z)-2,6-dimethylnon-4-ene-3,4-diol?
The canonical SMILES for (Z)-2,6-dimethylnon-4-ene-3,4-diol is CCCC(C)/C=C(\O)C(O)C(C)C.
What is the InChIKey of (Z)-2,6-dimethylnon-4-ene-3,4-diol?
The InChIKey is LAZKRSRJXWDRAD-YFHOEESVSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-6-9(4)7-10(12)11(13)8(2)3/h7-9,11-13H,5-6H2,1-4H3/b10-7-.
What are the key properties of (Z)-2,6-dimethylnon-4-ene-3,4-diol?
(Z)-2,6-dimethylnon-4-ene-3,4-diol has a molecular weight of 186.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,6-dimethylnon-4-ene-3,4-diol is sourced from PubChem (CID 155778289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).