3,3-dimethylnon-1-en-4-ol

C11H22O — CID 10866773

IUPAC3,3-dimethylnon-1-en-4-ol
SMILESC=CC(C)(C)C(O)CCCCC
InChIInChI=1S/C11H22O/c1-5-7-8-9-10(12)11(3,4)6-2/h6,10,12H,2,5,7-9H2,1,3-4H3
InChIKeyZTAAATVTESKNGF-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds6

About 3,3-dimethylnon-1-en-4-ol

3,3-dimethylnon-1-en-4-ol (PubChem CID 10866773) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,3-dimethylnon-1-en-4-ol.

Molecular Properties

Compound Name3,3-dimethylnon-1-en-4-ol
PubChem CID10866773
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3,3-dimethylnon-1-en-4-ol
SMILESC=CC(C)(C)C(O)CCCCC
InChIInChI=1S/C11H22O/c1-5-7-8-9-10(12)11(3,4)6-2/h6,10,12H,2,5,7-9H2,1,3-4H3
InChIKeyZTAAATVTESKNGF-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylnon-1-en-4-ol?
The IUPAC name of 3,3-dimethylnon-1-en-4-ol (CID 10866773) is 3,3-dimethylnon-1-en-4-ol.
What is the SMILES notation for 3,3-dimethylnon-1-en-4-ol?
The canonical SMILES for 3,3-dimethylnon-1-en-4-ol is C=CC(C)(C)C(O)CCCCC.
What is the InChIKey of 3,3-dimethylnon-1-en-4-ol?
The InChIKey is ZTAAATVTESKNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-7-8-9-10(12)11(3,4)6-2/h6,10,12H,2,5,7-9H2,1,3-4H3.
What are the key properties of 3,3-dimethylnon-1-en-4-ol?
3,3-dimethylnon-1-en-4-ol has a molecular weight of 170.30 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylnon-1-en-4-ol is sourced from PubChem (CID 10866773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).