ethane-1,2-diol;2-octoxyethanol

C12H28O4 — CID 87517178

IUPACethane-1,2-diol;2-octoxyethanol
SMILESCCCCCCCCOCCO.OCCO
InChIInChI=1S/C10H22O2.C2H6O2/c1-2-3-4-5-6-7-9-12-10-8-11;3-1-2-4/h11H,2-10H2,1H3;3-4H,1-2H2
InChIKeyQVOULLNLTIZPDU-UHFFFAOYSA-N
MW236.35 g/mol
LogP1.33
Rot. Bonds10

About ethane-1,2-diol;2-octoxyethanol

ethane-1,2-diol;2-octoxyethanol (PubChem CID 87517178) has the molecular formula C12H28O4 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethane-1,2-diol;2-octoxyethanol.

Molecular Properties

Compound Nameethane-1,2-diol;2-octoxyethanol
PubChem CID87517178
Molecular FormulaC12H28O4
Molecular Weight236.35 g/mol
Exact Mass236.20
IUPAC Nameethane-1,2-diol;2-octoxyethanol
SMILESCCCCCCCCOCCO.OCCO
InChIInChI=1S/C10H22O2.C2H6O2/c1-2-3-4-5-6-7-9-12-10-8-11;3-1-2-4/h11H,2-10H2,1H3;3-4H,1-2H2
InChIKeyQVOULLNLTIZPDU-UHFFFAOYSA-N
XLogP1.33
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tetrakis(ethane-1,2-diol);silane;2-tridecoxyethanol
CID 175031479
2-tetradecoxyethanol
CID 16491
2-dodecoxyethanol
CID 24750
2-heptoxyethanol
CID 23889
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-octoxyethanol?
The IUPAC name of ethane-1,2-diol;2-octoxyethanol (CID 87517178) is ethane-1,2-diol;2-octoxyethanol.
What is the SMILES notation for ethane-1,2-diol;2-octoxyethanol?
The canonical SMILES for ethane-1,2-diol;2-octoxyethanol is CCCCCCCCOCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;2-octoxyethanol?
The InChIKey is QVOULLNLTIZPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C2H6O2/c1-2-3-4-5-6-7-9-12-10-8-11;3-1-2-4/h11H,2-10H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-octoxyethanol?
ethane-1,2-diol;2-octoxyethanol has a molecular weight of 236.35 g/mol, XLogP of 1.33, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-octoxyethanol is sourced from PubChem (CID 87517178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).