2-ethylhexoxymethanol

C9H20O2 — CID 18783221

IUPAC2-ethylhexoxymethanol
SMILESCCCCC(CC)COCO
InChIInChI=1S/C9H20O2/c1-3-5-6-9(4-2)7-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyCVLNZEOVZXKLKQ-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.17
Rot. Bonds7

About 2-ethylhexoxymethanol

2-ethylhexoxymethanol (PubChem CID 18783221) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-ethylhexoxymethanol.

Molecular Properties

Compound Name2-ethylhexoxymethanol
PubChem CID18783221
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2-ethylhexoxymethanol
SMILESCCCCC(CC)COCO
InChIInChI=1S/C9H20O2/c1-3-5-6-9(4-2)7-11-8-10/h9-10H,3-8H2,1-2H3
InChIKeyCVLNZEOVZXKLKQ-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
CID 88753128
CID 88753128
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
CID 170602401
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
ethoxyethane;2-(2-ethylhexoxy)propane-1,3-diol
CID 87579118
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614
2-(2-ethylhexoxy)acetic acid
CID 11651287
ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
CID 87069112

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxymethanol?
The IUPAC name of 2-ethylhexoxymethanol (CID 18783221) is 2-ethylhexoxymethanol.
What is the SMILES notation for 2-ethylhexoxymethanol?
The canonical SMILES for 2-ethylhexoxymethanol is CCCCC(CC)COCO.
What is the InChIKey of 2-ethylhexoxymethanol?
The InChIKey is CVLNZEOVZXKLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-5-6-9(4-2)7-11-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethylhexoxymethanol?
2-ethylhexoxymethanol has a molecular weight of 160.26 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxymethanol is sourced from PubChem (CID 18783221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).