3,7-dimethylnon-6-en-1-ol

C11H22O — CID 544330

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

About 3,7-dimethylnon-6-en-1-ol

3,7-dimethylnon-6-en-1-ol (PubChem CID 544330) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,7-dimethylnon-6-en-1-ol.

Molecular Properties

Compound Name3,7-dimethylnon-6-en-1-ol
PubChem CID544330
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3,7-dimethylnon-6-en-1-ol
SMILESCCC(C)=CCCC(C)CCO
InChIInChI=1S/C11H22O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,11-12H,4-5,7-9H2,1-3H3
InChIKeyAKGNHAWSXXEAPG-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylnon-6-en-1-ol?
The IUPAC name of 3,7-dimethylnon-6-en-1-ol (CID 544330) is 3,7-dimethylnon-6-en-1-ol.
What is the SMILES notation for 3,7-dimethylnon-6-en-1-ol?
The canonical SMILES for 3,7-dimethylnon-6-en-1-ol is CCC(C)=CCCC(C)CCO.
What is the InChIKey of 3,7-dimethylnon-6-en-1-ol?
The InChIKey is AKGNHAWSXXEAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,11-12H,4-5,7-9H2,1-3H3.
What are the key properties of 3,7-dimethylnon-6-en-1-ol?
3,7-dimethylnon-6-en-1-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 3,7-dimethylnon-6-en-1-ol is sourced from PubChem (CID 544330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).