2,2-dimethylnon-3-en-5-ol

C11H22O — CID 123324148

IUPAC2,2-dimethylnon-3-en-5-ol
SMILESCCCCC(O)C=CC(C)(C)C
InChIInChI=1S/C11H22O/c1-5-6-7-10(12)8-9-11(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyYLJKKSNFBWXMBW-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds4

About 2,2-dimethylnon-3-en-5-ol

2,2-dimethylnon-3-en-5-ol (PubChem CID 123324148) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,2-dimethylnon-3-en-5-ol.

Molecular Properties

Compound Name2,2-dimethylnon-3-en-5-ol
PubChem CID123324148
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,2-dimethylnon-3-en-5-ol
SMILESCCCCC(O)C=CC(C)(C)C
InChIInChI=1S/C11H22O/c1-5-6-7-10(12)8-9-11(2,3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyYLJKKSNFBWXMBW-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-non-3-en-5-ol
CID 18957163
4-hydroxyoct-2-enenitrile
CID 71329578
(E,3S)-1-triethylsilyloct-1-en-3-ol
CID 10377101
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(E)-1-chlorooct-1-en-3-ol
CID 14723484
(3S)-1-iodooct-1-en-3-ol
CID 54007858
(3R)-1-iodooct-1-en-3-ol
CID 54007857
(Z)-undec-2-en-4-ol
CID 14320443
dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 173398579
octadec-3-en-5-ol
CID 144649733
(E)-non-2-ene-1,4-diol
CID 14106146
(E,4R)-non-2-ene-1,4-diol
CID 11030095

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylnon-3-en-5-ol?
The IUPAC name of 2,2-dimethylnon-3-en-5-ol (CID 123324148) is 2,2-dimethylnon-3-en-5-ol.
What is the SMILES notation for 2,2-dimethylnon-3-en-5-ol?
The canonical SMILES for 2,2-dimethylnon-3-en-5-ol is CCCCC(O)C=CC(C)(C)C.
What is the InChIKey of 2,2-dimethylnon-3-en-5-ol?
The InChIKey is YLJKKSNFBWXMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-6-7-10(12)8-9-11(2,3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethylnon-3-en-5-ol?
2,2-dimethylnon-3-en-5-ol has a molecular weight of 170.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylnon-3-en-5-ol is sourced from PubChem (CID 123324148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).