2-ethyl-4-methylnonan-1-ol

C12H26O — CID 21358744

IUPAC2-ethyl-4-methylnonan-1-ol
SMILESCCCCCC(C)CC(CC)CO
InChIInChI=1S/C12H26O/c1-4-6-7-8-11(3)9-12(5-2)10-13/h11-13H,4-10H2,1-3H3
InChIKeyXQYKPUBJUTVGFQ-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds8

About 2-ethyl-4-methylnonan-1-ol

2-ethyl-4-methylnonan-1-ol (PubChem CID 21358744) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-ethyl-4-methylnonan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-methylnonan-1-ol
PubChem CID21358744
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2-ethyl-4-methylnonan-1-ol
SMILESCCCCCC(C)CC(CC)CO
InChIInChI=1S/C12H26O/c1-4-6-7-8-11(3)9-12(5-2)10-13/h11-13H,4-10H2,1-3H3
InChIKeyXQYKPUBJUTVGFQ-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
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

11-ethyl-9-methylhenicosane
CID 154589575
5-ethyl-3-methyldecan-1-ol
CID 54287791
5-ethyl-7-methylhexadecane
CID 173452938
10-ethyl-2,6,12-trimethyloctacosane
CID 123697620
2-ethyldodecan-1-ol
CID 545553
2-ethyldecane-1,4-diol
CID 90936886
6-ethyl-2,8-dimethylicosane;2,6,9-trimethylhenicosane
CID 160563987
(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptamethyltriacontan-1-ol
CID 102327418
19-ethyl-15-methyltetratriacontane
CID 123150994
9,17-dimethyl-11,13,15-trioctylpentacosane
CID 140909341
2,6-dimethyldodecan-1-ol
CID 14392571
13-ethyl-3,8-dimethyloctadecane
CID 123214629

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylnonan-1-ol?
The IUPAC name of 2-ethyl-4-methylnonan-1-ol (CID 21358744) is 2-ethyl-4-methylnonan-1-ol.
What is the SMILES notation for 2-ethyl-4-methylnonan-1-ol?
The canonical SMILES for 2-ethyl-4-methylnonan-1-ol is CCCCCC(C)CC(CC)CO.
What is the InChIKey of 2-ethyl-4-methylnonan-1-ol?
The InChIKey is XQYKPUBJUTVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-4-6-7-8-11(3)9-12(5-2)10-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-4-methylnonan-1-ol?
2-ethyl-4-methylnonan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylnonan-1-ol is sourced from PubChem (CID 21358744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).