2-butyl-1-ethoxyoctan-1-ol

C14H30O2 — CID 141447207

IUPAC2-butyl-1-ethoxyoctan-1-ol
SMILESCCCCCCC(CCCC)C(O)OCC
InChIInChI=1S/C14H30O2/c1-4-7-9-10-12-13(11-8-5-2)14(15)16-6-3/h13-15H,4-12H2,1-3H3
InChIKeyGHZOSTKAMVPALQ-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.12
Rot. Bonds11

About 2-butyl-1-ethoxyoctan-1-ol

2-butyl-1-ethoxyoctan-1-ol (PubChem CID 141447207) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-butyl-1-ethoxyoctan-1-ol.

Molecular Properties

Compound Name2-butyl-1-ethoxyoctan-1-ol
PubChem CID141447207
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2-butyl-1-ethoxyoctan-1-ol
SMILESCCCCCCC(CCCC)C(O)OCC
InChIInChI=1S/C14H30O2/c1-4-7-9-10-12-13(11-8-5-2)14(15)16-6-3/h13-15H,4-12H2,1-3H3
InChIKeyGHZOSTKAMVPALQ-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8,9-dibutylhexadecane
CID 530025
2-butyl-1-[6-[6-(2-butyl-1-hydroxyoctoxy)hexyl-(2-hydroxyethyl)amino]hexoxy]octan-1-ol
CID 169121763
1-ethoxy-2-hexyldecan-1-ol;2-heptyldecanoic acid;3-[hexyl(pentyl)amino]propan-1-ol;propane
CID 169229332
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
9-ethoxyoctadecane
CID 87148376
5-butylundecan-6-ol
CID 89253058
1-(1-ethoxyethoxy)-2-ethylhexan-1-ol
CID 18690221
4-ethoxydodecan-5-ol
CID 116711346
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethoxyoctan-1-ol?
The IUPAC name of 2-butyl-1-ethoxyoctan-1-ol (CID 141447207) is 2-butyl-1-ethoxyoctan-1-ol.
What is the SMILES notation for 2-butyl-1-ethoxyoctan-1-ol?
The canonical SMILES for 2-butyl-1-ethoxyoctan-1-ol is CCCCCCC(CCCC)C(O)OCC.
What is the InChIKey of 2-butyl-1-ethoxyoctan-1-ol?
The InChIKey is GHZOSTKAMVPALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-4-7-9-10-12-13(11-8-5-2)14(15)16-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-butyl-1-ethoxyoctan-1-ol?
2-butyl-1-ethoxyoctan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethoxyoctan-1-ol is sourced from PubChem (CID 141447207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).