6,8,8-trimethylnon-1-en-4-ol

C12H24O — CID 88756750

IUPAC6,8,8-trimethylnon-1-en-4-ol
SMILESC=CCC(O)CC(C)CC(C)(C)C
InChIInChI=1S/C12H24O/c1-6-7-11(13)8-10(2)9-12(3,4)5/h6,10-11,13H,1,7-9H2,2-5H3
InChIKeyRMTHNXUTFKDZTM-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds5

About 6,8,8-trimethylnon-1-en-4-ol

6,8,8-trimethylnon-1-en-4-ol (PubChem CID 88756750) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 6,8,8-trimethylnon-1-en-4-ol.

Molecular Properties

Compound Name6,8,8-trimethylnon-1-en-4-ol
PubChem CID88756750
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name6,8,8-trimethylnon-1-en-4-ol
SMILESC=CCC(O)CC(C)CC(C)(C)C
InChIInChI=1S/C12H24O/c1-6-7-11(13)8-10(2)9-12(3,4)5/h6,10-11,13H,1,7-9H2,2-5H3
InChIKeyRMTHNXUTFKDZTM-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.39
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 6,8,8-trimethylnon-1-en-4-ol?
The IUPAC name of 6,8,8-trimethylnon-1-en-4-ol (CID 88756750) is 6,8,8-trimethylnon-1-en-4-ol.
What is the SMILES notation for 6,8,8-trimethylnon-1-en-4-ol?
The canonical SMILES for 6,8,8-trimethylnon-1-en-4-ol is C=CCC(O)CC(C)CC(C)(C)C.
What is the InChIKey of 6,8,8-trimethylnon-1-en-4-ol?
The InChIKey is RMTHNXUTFKDZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-7-11(13)8-10(2)9-12(3,4)5/h6,10-11,13H,1,7-9H2,2-5H3.
What are the key properties of 6,8,8-trimethylnon-1-en-4-ol?
6,8,8-trimethylnon-1-en-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethylnon-1-en-4-ol is sourced from PubChem (CID 88756750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).