2-ethyl-1-(2-ethylpentoxy)pentan-1-ol

C14H30O2 — CID 174826568

IUPAC2-ethyl-1-(2-ethylpentoxy)pentan-1-ol
SMILESCCCC(CC)COC(O)C(CC)CCC
InChIInChI=1S/C14H30O2/c1-5-9-12(7-3)11-16-14(15)13(8-4)10-6-2/h12-15H,5-11H2,1-4H3
InChIKeyACJSIOMLUFGYCW-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.97
Rot. Bonds10

About 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol

2-ethyl-1-(2-ethylpentoxy)pentan-1-ol (PubChem CID 174826568) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(2-ethylpentoxy)pentan-1-ol
PubChem CID174826568
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2-ethyl-1-(2-ethylpentoxy)pentan-1-ol
SMILESCCCC(CC)COC(O)C(CC)CCC
InChIInChI=1S/C14H30O2/c1-5-9-12(7-3)11-16-14(15)13(8-4)10-6-2/h12-15H,5-11H2,1-4H3
InChIKeyACJSIOMLUFGYCW-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-diethyloctane
CID 519254
bis(2-ethylpentyl) (Z)-but-2-enedioate
CID 171777570
4,8-diethyl-5-methylundecane
CID 59928875
4-ethylheptane;methane
CID 143165373
5,8-diethyl-6-(2-ethylhexoxy)dodecane
CID 123215209
2-(2-ethylhexoxy)-1-octoxypropan-1-ol
CID 87255804
2,2-bis(2-ethylhexoxy)ethanol
CID 118435982
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
2-(2,2-difluoroethyl)-1-ethoxypentan-1-ol
CID 134469351
3-(difluoromethoxymethyl)heptane
CID 162429038
2-ethylpentyl formate
CID 19982810
3-(methoxymethyl)heptan-4-ol
CID 83051551

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol?
The IUPAC name of 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol (CID 174826568) is 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol.
What is the SMILES notation for 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol?
The canonical SMILES for 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol is CCCC(CC)COC(O)C(CC)CCC.
What is the InChIKey of 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol?
The InChIKey is ACJSIOMLUFGYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-5-9-12(7-3)11-16-14(15)13(8-4)10-6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol?
2-ethyl-1-(2-ethylpentoxy)pentan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethylpentoxy)pentan-1-ol is sourced from PubChem (CID 174826568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).