3,5,5-trimethylnon-8-en-1-ol

C12H24O — CID 123762841

IUPAC3,5,5-trimethylnon-8-en-1-ol
SMILESC=CCCC(C)(C)CC(C)CCO
InChIInChI=1S/C12H24O/c1-5-6-8-12(3,4)10-11(2)7-9-13/h5,11,13H,1,6-10H2,2-4H3
InChIKeyXNUHZOHLTPHURC-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds7

About 3,5,5-trimethylnon-8-en-1-ol

3,5,5-trimethylnon-8-en-1-ol (PubChem CID 123762841) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3,5,5-trimethylnon-8-en-1-ol.

Molecular Properties

Compound Name3,5,5-trimethylnon-8-en-1-ol
PubChem CID123762841
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3,5,5-trimethylnon-8-en-1-ol
SMILESC=CCCC(C)(C)CC(C)CCO
InChIInChI=1S/C12H24O/c1-5-6-8-12(3,4)10-11(2)7-9-13/h5,11,13H,1,6-10H2,2-4H3
InChIKeyXNUHZOHLTPHURC-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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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Related Compounds

3,3-dimethyl-N-propan-2-ylhept-6-en-1-amine
CID 81022245
6,8,8-trimethylnon-1-ene
CID 55273877
2,5,5-trimethylnona-1,8-diene
CID 59085403
(6E)-3,7-dimethyldodeca-6,11-dien-1-ol
CID 21160167
3,3,5,5-tetramethylnona-1,8-diene
CID 91102311
2,6-dimethyldec-9-en-2-ol
CID 154162071
(E,3R)-3,7-dimethyloct-5-ene-1,7-diol
CID 14866289
2-but-3-enyl-2-ethylhex-5-en-1-ol
CID 159922926
2,2-dimethylhept-6-en-1-ol
CID 12063159
7,7,10-trimethylundec-1-ene
CID 173422023
3,3-diethyl-5-methylnona-1,8-diene
CID 123790620
7,7,9-trimethyldecane-1,3-diol
CID 57089322

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethylnon-8-en-1-ol?
The IUPAC name of 3,5,5-trimethylnon-8-en-1-ol (CID 123762841) is 3,5,5-trimethylnon-8-en-1-ol.
What is the SMILES notation for 3,5,5-trimethylnon-8-en-1-ol?
The canonical SMILES for 3,5,5-trimethylnon-8-en-1-ol is C=CCCC(C)(C)CC(C)CCO.
What is the InChIKey of 3,5,5-trimethylnon-8-en-1-ol?
The InChIKey is XNUHZOHLTPHURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-6-8-12(3,4)10-11(2)7-9-13/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of 3,5,5-trimethylnon-8-en-1-ol?
3,5,5-trimethylnon-8-en-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylnon-8-en-1-ol is sourced from PubChem (CID 123762841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).