ethane;1-(2-propoxyethoxy)butane

C11H26O2 — CID 164535746

IUPACethane;1-(2-propoxyethoxy)butane
SMILESCC.CCCCOCCOCCC
InChIInChI=1S/C9H20O2.C2H6/c1-3-5-7-11-9-8-10-6-4-2;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyYTYCMCILALIMMC-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.26
Rot. Bonds8

About ethane;1-(2-propoxyethoxy)butane

ethane;1-(2-propoxyethoxy)butane (PubChem CID 164535746) has the molecular formula C11H26O2 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;1-(2-propoxyethoxy)butane.

Molecular Properties

Compound Nameethane;1-(2-propoxyethoxy)butane
PubChem CID164535746
Molecular FormulaC11H26O2
Molecular Weight190.33 g/mol
Exact Mass190.19
IUPAC Nameethane;1-(2-propoxyethoxy)butane
SMILESCC.CCCCOCCOCCC
InChIInChI=1S/C9H20O2.C2H6/c1-3-5-7-11-9-8-10-6-4-2;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyYTYCMCILALIMMC-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
azane;1-propoxybutane
CID 87292575
methane;1-propoxybutane
CID 162202436
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
pentane;1-propoxypentane
CID 174500651
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
2-butoxyethoxy-dimethyl-(2-propoxyethoxy)silane
CID 91522026

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-propoxyethoxy)butane?
The IUPAC name of ethane;1-(2-propoxyethoxy)butane (CID 164535746) is ethane;1-(2-propoxyethoxy)butane.
What is the SMILES notation for ethane;1-(2-propoxyethoxy)butane?
The canonical SMILES for ethane;1-(2-propoxyethoxy)butane is CC.CCCCOCCOCCC.
What is the InChIKey of ethane;1-(2-propoxyethoxy)butane?
The InChIKey is YTYCMCILALIMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.C2H6/c1-3-5-7-11-9-8-10-6-4-2;1-2/h3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-propoxyethoxy)butane?
ethane;1-(2-propoxyethoxy)butane has a molecular weight of 190.33 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-propoxyethoxy)butane is sourced from PubChem (CID 164535746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).