2,2-bis(2-ethylhexoxy)ethanol

C18H38O3 — CID 118435982

IUPAC2,2-bis(2-ethylhexoxy)ethanol
SMILESCCCCC(CC)COC(CO)OCC(CC)CCCC
InChIInChI=1S/C18H38O3/c1-5-9-11-16(7-3)14-20-18(13-19)21-15-17(8-4)12-10-6-2/h16-19H,5-15H2,1-4H3
InChIKeyDOLKARRHNGWSKH-UHFFFAOYSA-N
MW302.50 g/mol
LogP4.77
Rot. Bonds15

About 2,2-bis(2-ethylhexoxy)ethanol

2,2-bis(2-ethylhexoxy)ethanol (PubChem CID 118435982) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 2,2-bis(2-ethylhexoxy)ethanol.

Molecular Properties

Compound Name2,2-bis(2-ethylhexoxy)ethanol
PubChem CID118435982
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name2,2-bis(2-ethylhexoxy)ethanol
SMILESCCCCC(CC)COC(CO)OCC(CC)CCCC
InChIInChI=1S/C18H38O3/c1-5-9-11-16(7-3)14-20-18(13-19)21-15-17(8-4)12-10-6-2/h16-19H,5-15H2,1-4H3
InChIKeyDOLKARRHNGWSKH-UHFFFAOYSA-N
XLogP4.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.77
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-(2-ethylhexoxy)-3-[2-(2-ethylhexoxy)-3-hydroxypropyl]peroxypropan-1-ol
CID 87579120
2-ethylhexan-1-ol;hydron
CID 175010288
ethoxyethane;2-(2-ethylhexoxy)propane-1,3-diol
CID 87579118
3-(difluoromethoxymethyl)heptane
CID 162429038
3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol
CID 114358105
2-ethylhexoxymethanol
CID 18783221
3-(heptan-3-yloxymethyl)heptane
CID 90211738
6,6-bis(2-ethylhexoxy)hexanoic acid
CID 174259034
(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
CID 96570976
2-ethylhexan-1-ol;iron
CID 22477032
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-ethylhexoxy)ethanol?
The IUPAC name of 2,2-bis(2-ethylhexoxy)ethanol (CID 118435982) is 2,2-bis(2-ethylhexoxy)ethanol.
What is the SMILES notation for 2,2-bis(2-ethylhexoxy)ethanol?
The canonical SMILES for 2,2-bis(2-ethylhexoxy)ethanol is CCCCC(CC)COC(CO)OCC(CC)CCCC.
What is the InChIKey of 2,2-bis(2-ethylhexoxy)ethanol?
The InChIKey is DOLKARRHNGWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-5-9-11-16(7-3)14-20-18(13-19)21-15-17(8-4)12-10-6-2/h16-19H,5-15H2,1-4H3.
What are the key properties of 2,2-bis(2-ethylhexoxy)ethanol?
2,2-bis(2-ethylhexoxy)ethanol has a molecular weight of 302.50 g/mol, XLogP of 4.77, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-ethylhexoxy)ethanol is sourced from PubChem (CID 118435982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).