2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol

C14H30O4 — CID 176653191

IUPAC2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol
SMILESCCC(C)CCCCOCCOCCOCCO
InChIInChI=1S/C14H30O4/c1-3-14(2)6-4-5-8-16-10-12-18-13-11-17-9-7-15/h14-15H,3-13H2,1-2H3
InChIKeyAPZRDADPLKLNIM-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.24
Rot. Bonds14

About 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol (PubChem CID 176653191) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol
PubChem CID176653191
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol
SMILESCCC(C)CCCCOCCOCCOCCO
InChIInChI=1S/C14H30O4/c1-3-14(2)6-4-5-8-16-10-12-18-13-11-17-9-7-15/h14-15H,3-13H2,1-2H3
InChIKeyAPZRDADPLKLNIM-UHFFFAOYSA-N
XLogP2.24
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(8-methyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176653038
3-(14-methylhexadecoxy)propan-1-ol
CID 59379115
2-[2-(7-ethylnonoxy)ethoxy]ethanol
CID 176653244
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
CID 59203503
2-[2-[2-[2-[2-(3-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653158
2-[2-(5-ethyloctoxy)ethoxy]ethanol
CID 176653109
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
2-(7-methylnonoxy)ethanamine
CID 90169866
2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176652982

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol (CID 176653191) is 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol is CCC(C)CCCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol?
The InChIKey is APZRDADPLKLNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-3-14(2)6-4-5-8-16-10-12-18-13-11-17-9-7-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol has a molecular weight of 262.39 g/mol, XLogP of 2.24, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 176653191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).