4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane

C13H27ClO3 — CID 104568686

IUPAC4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane
SMILESCCCCOCCOCCOCCC(C)CCl
InChIInChI=1S/C13H27ClO3/c1-3-4-6-15-8-10-17-11-9-16-7-5-13(2)12-14/h13H,3-12H2,1-2H3
InChIKeyFXQZXNKCICTVEZ-UHFFFAOYSA-N
MW266.81 g/mol
LogP3.10
Rot. Bonds13

About 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane

4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane (PubChem CID 104568686) has the molecular formula C13H27ClO3 and a molecular weight of 266.81 g/mol. Its IUPAC name is 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane.

Molecular Properties

Compound Name4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane
PubChem CID104568686
Molecular FormulaC13H27ClO3
Molecular Weight266.81 g/mol
Exact Mass266.16
IUPAC Name4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane
SMILESCCCCOCCOCCOCCC(C)CCl
InChIInChI=1S/C13H27ClO3/c1-3-4-6-15-8-10-17-11-9-16-7-5-13(2)12-14/h13H,3-12H2,1-2H3
InChIKeyFXQZXNKCICTVEZ-UHFFFAOYSA-N
XLogP3.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-(chloromethyl)butane
CID 113427643
1-bromo-4-butoxy-2-methylbutane
CID 66049175
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
3-(2-butoxyethoxy)-1-chloropropan-1-ol
CID 175308716
ethane;1-(2-propoxyethoxy)butane
CID 164535746
3-methyl-1-(3-methylnonadecoxy)nonadecane
CID 88819988
1-(3-chloro-2-methylpropoxy)octane
CID 22002962
1-(3,5,5-trimethylhexoxy)undecane
CID 86724837
magnesium;1-chloro-2-methylhexane;hydride
CID 173396066
1-butoxy-4-methoxypentane
CID 91807303
1-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673
2-butoxyethyl 3-chloro-2-methylpropanoate
CID 175064019

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane?
The IUPAC name of 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane (CID 104568686) is 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane.
What is the SMILES notation for 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane?
The canonical SMILES for 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane is CCCCOCCOCCOCCC(C)CCl.
What is the InChIKey of 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane?
The InChIKey is FXQZXNKCICTVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClO3/c1-3-4-6-15-8-10-17-11-9-16-7-5-13(2)12-14/h13H,3-12H2,1-2H3.
What are the key properties of 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane?
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane has a molecular weight of 266.81 g/mol, XLogP of 3.10, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane is sourced from PubChem (CID 104568686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).