ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol

C14H32O2 — CID 170602401

IUPACethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
SMILESCC.CCCCC(CC)COCC(C)CO
InChIInChI=1S/C12H26O2.C2H6/c1-4-6-7-12(5-2)10-14-9-11(3)8-13;1-2/h11-13H,4-10H2,1-3H3;1-2H3
InChIKeyIPHLEZYAISPHLS-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.87
Rot. Bonds9

About ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol

ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol (PubChem CID 170602401) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Nameethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
PubChem CID170602401
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Nameethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
SMILESCC.CCCCC(CC)COCC(C)CO
InChIInChI=1S/C12H26O2.C2H6/c1-4-6-7-12(5-2)10-14-9-11(3)8-13;1-2/h11-13H,4-10H2,1-3H3;1-2H3
InChIKeyIPHLEZYAISPHLS-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
2-ethylhexoxymethanol
CID 18783221
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
CID 87069112
CID 88753128
CID 88753128
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
3-(2-ethyloctoxy)propane-1,2-diol
CID 23105906
2-methylhexan-1-ol
CID 159157237
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol?
The IUPAC name of ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol (CID 170602401) is ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol.
What is the SMILES notation for ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol?
The canonical SMILES for ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol is CC.CCCCC(CC)COCC(C)CO.
What is the InChIKey of ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol?
The InChIKey is IPHLEZYAISPHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2.C2H6/c1-4-6-7-12(5-2)10-14-9-11(3)8-13;1-2/h11-13H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol?
ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol has a molecular weight of 232.41 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 170602401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).