6-ethyl-9,9-dimethyldecan-1-ol

C14H30O — CID 176971443

IUPAC6-ethyl-9,9-dimethyldecan-1-ol
SMILESCCC(CCCCCO)CCC(C)(C)C
InChIInChI=1S/C14H30O/c1-5-13(9-7-6-8-12-15)10-11-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyKKVHMIYZOIMAKC-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds8

About 6-ethyl-9,9-dimethyldecan-1-ol

6-ethyl-9,9-dimethyldecan-1-ol (PubChem CID 176971443) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 6-ethyl-9,9-dimethyldecan-1-ol.

Molecular Properties

Compound Name6-ethyl-9,9-dimethyldecan-1-ol
PubChem CID176971443
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name6-ethyl-9,9-dimethyldecan-1-ol
SMILESCCC(CCCCCO)CCC(C)(C)C
InChIInChI=1S/C14H30O/c1-5-13(9-7-6-8-12-15)10-11-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyKKVHMIYZOIMAKC-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.39
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

2-Ethylhexanol
CID 7720
3,7-Dimethyl-1-octanol
CID 7792
3,5,5-Trimethyl-1-hexanol
CID 18938
2-Butyl-1-octanol
CID 19800
Isooctan-1-ol
CID 15450
3,7-Dimethyl-1,7-octanediol
CID 249494
2-Octyldodecanol
CID 21414
2-Methyloctanol
CID 102495
Isostearyl Alcohol EX
CID 62825
2-Propyl-1-heptanol
CID 24847
2-Hexyl-1-decanol
CID 95337
2-Methyl-1-hexadecanol
CID 17218

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9,9-dimethyldecan-1-ol?
The IUPAC name of 6-ethyl-9,9-dimethyldecan-1-ol (CID 176971443) is 6-ethyl-9,9-dimethyldecan-1-ol.
What is the SMILES notation for 6-ethyl-9,9-dimethyldecan-1-ol?
The canonical SMILES for 6-ethyl-9,9-dimethyldecan-1-ol is CCC(CCCCCO)CCC(C)(C)C.
What is the InChIKey of 6-ethyl-9,9-dimethyldecan-1-ol?
The InChIKey is KKVHMIYZOIMAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-13(9-7-6-8-12-15)10-11-14(2,3)4/h13,15H,5-12H2,1-4H3.
What are the key properties of 6-ethyl-9,9-dimethyldecan-1-ol?
6-ethyl-9,9-dimethyldecan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9,9-dimethyldecan-1-ol is sourced from PubChem (CID 176971443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).