1-(1-hexoxyethoxy)ethanol

C10H22O3 — CID 22559456

IUPAC1-(1-hexoxyethoxy)ethanol
SMILESCCCCCCOC(C)OC(C)O
InChIInChI=1S/C10H22O3/c1-4-5-6-7-8-12-10(3)13-9(2)11/h9-11H,4-8H2,1-3H3
InChIKeyBVIYJRCUNSFBJX-UHFFFAOYSA-N
MW190.28 g/mol
LogP2.28
Rot. Bonds8

About 1-(1-hexoxyethoxy)ethanol

1-(1-hexoxyethoxy)ethanol (PubChem CID 22559456) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-(1-hexoxyethoxy)ethanol.

Molecular Properties

Compound Name1-(1-hexoxyethoxy)ethanol
PubChem CID22559456
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1-(1-hexoxyethoxy)ethanol
SMILESCCCCCCOC(C)OC(C)O
InChIInChI=1S/C10H22O3/c1-4-5-6-7-8-12-10(3)13-9(2)11/h9-11H,4-8H2,1-3H3
InChIKeyBVIYJRCUNSFBJX-UHFFFAOYSA-N
XLogP2.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-heptacontoxyethanol
CID 169098461
1-pentoxyethanol
CID 19598527
CID 136849236
CID 136849236
CID 136849214
CID 136849214
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
1-amino-1-octoxypropan-2-ol
CID 174604466
icosoxymethanediol
CID 175975847
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
sodium 1-(1-dodecoxyethoxy)ethyl sulfate
CID 23719523
3-methylbutan-2-yloxy(tridecoxy)methanol
CID 172566748
1-undecoxypropan-1-ol
CID 139971923
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexoxyethoxy)ethanol?
The IUPAC name of 1-(1-hexoxyethoxy)ethanol (CID 22559456) is 1-(1-hexoxyethoxy)ethanol.
What is the SMILES notation for 1-(1-hexoxyethoxy)ethanol?
The canonical SMILES for 1-(1-hexoxyethoxy)ethanol is CCCCCCOC(C)OC(C)O.
What is the InChIKey of 1-(1-hexoxyethoxy)ethanol?
The InChIKey is BVIYJRCUNSFBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-4-5-6-7-8-12-10(3)13-9(2)11/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(1-hexoxyethoxy)ethanol?
1-(1-hexoxyethoxy)ethanol has a molecular weight of 190.28 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexoxyethoxy)ethanol is sourced from PubChem (CID 22559456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).