5-ethyl-3-methyldecan-1-ol

C13H28O — CID 54287791

IUPAC5-ethyl-3-methyldecan-1-ol
SMILESCCCCCC(CC)CC(C)CCO
InChIInChI=1S/C13H28O/c1-4-6-7-8-13(5-2)11-12(3)9-10-14/h12-14H,4-11H2,1-3H3
InChIKeyCBKOQSXWBKGXHQ-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds9

About 5-ethyl-3-methyldecan-1-ol

5-ethyl-3-methyldecan-1-ol (PubChem CID 54287791) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 5-ethyl-3-methyldecan-1-ol.

Molecular Properties

Compound Name5-ethyl-3-methyldecan-1-ol
PubChem CID54287791
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name5-ethyl-3-methyldecan-1-ol
SMILESCCCCCC(CC)CC(C)CCO
InChIInChI=1S/C13H28O/c1-4-6-7-8-13(5-2)11-12(3)9-10-14/h12-14H,4-11H2,1-3H3
InChIKeyCBKOQSXWBKGXHQ-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
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-7-methylhexadecane
CID 173452938
azane;3-ethylhenicosan-1-ol
CID 174815540
2-ethyl-4-methylnonan-1-ol
CID 21358744
5,11-diethyl-7-methylpentadecane
CID 174871265
5-ethyl-3-methyldecane-1-thiol
CID 57240584
4-ethyldecan-1-ol
CID 91002231
4-ethyltridecan-1-ol
CID 20550506
6-ethyl-4-methyldecane
CID 22224210
3-octyltridecan-1-ol
CID 13109029
3-pentylundecan-1-ol
CID 118576679
5-ethyl-2-methyldecan-1-ol
CID 141378719

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyldecan-1-ol?
The IUPAC name of 5-ethyl-3-methyldecan-1-ol (CID 54287791) is 5-ethyl-3-methyldecan-1-ol.
What is the SMILES notation for 5-ethyl-3-methyldecan-1-ol?
The canonical SMILES for 5-ethyl-3-methyldecan-1-ol is CCCCCC(CC)CC(C)CCO.
What is the InChIKey of 5-ethyl-3-methyldecan-1-ol?
The InChIKey is CBKOQSXWBKGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-4-6-7-8-13(5-2)11-12(3)9-10-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 5-ethyl-3-methyldecan-1-ol?
5-ethyl-3-methyldecan-1-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyldecan-1-ol is sourced from PubChem (CID 54287791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).