2,4-dimethylnonan-4-ol

C11H24O — CID 3018500

IUPAC2,4-dimethylnonan-4-ol
SMILESCCCCCC(C)(O)CC(C)C
InChIInChI=1S/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyZCYIZHWZWCLYQE-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.36
Rot. Bonds6

About 2,4-dimethylnonan-4-ol

2,4-dimethylnonan-4-ol (PubChem CID 3018500) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,4-dimethylnonan-4-ol.

Molecular Properties

Compound Name2,4-dimethylnonan-4-ol
PubChem CID3018500
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,4-dimethylnonan-4-ol
SMILESCCCCCC(C)(O)CC(C)C
InChIInChI=1S/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyZCYIZHWZWCLYQE-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87343529
4-ethyl-2,4-dimethylundecane
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(3S)-2,3-dimethyloctan-3-ol
CID 25021578
4,7-dimethylpentadecane-4,7-diol
CID 89335583
2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
pentacontane;2,2,4-trimethylpentane
CID 174882537
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
2,3-dimethyltridecan-3-ol
CID 14591139
2,5-dimethyloctadecane-2,5-diol
CID 90439837
azane;3-methylhenicosan-3-ol;hydrochloride
CID 173459542
4-ethyl-2,4,6-trimethyl-6-propylundecane
CID 123302800
4-(2,4-dimethyloctadecan-4-yloxy)-2,4-dimethyloctadecane
CID 87666384

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylnonan-4-ol?
The IUPAC name of 2,4-dimethylnonan-4-ol (CID 3018500) is 2,4-dimethylnonan-4-ol.
What is the SMILES notation for 2,4-dimethylnonan-4-ol?
The canonical SMILES for 2,4-dimethylnonan-4-ol is CCCCCC(C)(O)CC(C)C.
What is the InChIKey of 2,4-dimethylnonan-4-ol?
The InChIKey is ZCYIZHWZWCLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3.
What are the key properties of 2,4-dimethylnonan-4-ol?
2,4-dimethylnonan-4-ol has a molecular weight of 172.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylnonan-4-ol is sourced from PubChem (CID 3018500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).