1-(1-ethoxyethoxy)-2-ethylhexan-1-ol

C12H26O3 — CID 18690221

IUPAC1-(1-ethoxyethoxy)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)OC(C)OCC
InChIInChI=1S/C12H26O3/c1-5-8-9-11(6-2)12(13)15-10(4)14-7-3/h10-13H,5-9H2,1-4H3
InChIKeyDAFSRDVMTLLANL-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.92
Rot. Bonds9

About 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol

1-(1-ethoxyethoxy)-2-ethylhexan-1-ol (PubChem CID 18690221) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)-2-ethylhexan-1-ol
PubChem CID18690221
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-(1-ethoxyethoxy)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)OC(C)OCC
InChIInChI=1S/C12H26O3/c1-5-8-9-11(6-2)12(13)15-10(4)14-7-3/h10-13H,5-9H2,1-4H3
InChIKeyDAFSRDVMTLLANL-UHFFFAOYSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-ethoxyoctan-1-ol
CID 141447207
5,7-diethylundecan-6-ol
CID 89253066
3-ethyl-1-propan-2-yloxyheptan-2-ol
CID 115821475
ethyl 3-ethyl-2-methylheptanoate
CID 144913747
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
7-ethyl-2-methylundecan-6-ol
CID 115829942
4,5-diethylnonane
CID 21188862
4-ethyl-3-(4-ethyl-1,2-dihydroxyheptadecan-3-yl)oxyheptadecane-1,2-diol
CID 87065701
3-ethylheptan-2-amine
CID 61000696
2-ethylheptane-1,1-diol
CID 54525502
5-ethyl-2-iodononan-4-ol
CID 118984335

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol?
The IUPAC name of 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol (CID 18690221) is 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol.
What is the SMILES notation for 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol?
The canonical SMILES for 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol is CCCCC(CC)C(O)OC(C)OCC.
What is the InChIKey of 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol?
The InChIKey is DAFSRDVMTLLANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-5-8-9-11(6-2)12(13)15-10(4)14-7-3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol?
1-(1-ethoxyethoxy)-2-ethylhexan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)-2-ethylhexan-1-ol is sourced from PubChem (CID 18690221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).