1-butoxy-3-propan-2-yloxybutane

C11H24O2 — CID 173255179

IUPAC1-butoxy-3-propan-2-yloxybutane
SMILESCCCCOCCC(C)OC(C)C
InChIInChI=1S/C11H24O2/c1-5-6-8-12-9-7-11(4)13-10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyFFQXNWFNDMMXNR-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.01
Rot. Bonds8

About 1-butoxy-3-propan-2-yloxybutane

1-butoxy-3-propan-2-yloxybutane (PubChem CID 173255179) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-butoxy-3-propan-2-yloxybutane.

Molecular Properties

Compound Name1-butoxy-3-propan-2-yloxybutane
PubChem CID173255179
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-butoxy-3-propan-2-yloxybutane
SMILESCCCCOCCC(C)OC(C)C
InChIInChI=1S/C11H24O2/c1-5-6-8-12-9-7-11(4)13-10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyFFQXNWFNDMMXNR-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.01
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

1-ethoxy-3-propan-2-yloxybutane
CID 154176409
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
3-butoxy-1-propoxybutane
CID 57175368
1-(3-dodecoxybutoxy)dodecane
CID 173358855
1-(2-propan-2-yloxypropoxy)octadecane
CID 144869865
1-butoxy-4-methoxypentane
CID 91807303
1-bromo-4-butoxy-2-methylbutane
CID 66049175
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
butane-2,3-diol;1-butoxybutane
CID 87169993
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane
CID 104568686
1-butoxy-4-methyl-2-propan-2-yloxypentane
CID 138514678
trimethyl-[2-[2-[3-(3-octadecan-2-yloxybutoxy)propoxy]ethoxy]ethyl]azanium chloride
CID 88644934

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-propan-2-yloxybutane?
The IUPAC name of 1-butoxy-3-propan-2-yloxybutane (CID 173255179) is 1-butoxy-3-propan-2-yloxybutane.
What is the SMILES notation for 1-butoxy-3-propan-2-yloxybutane?
The canonical SMILES for 1-butoxy-3-propan-2-yloxybutane is CCCCOCCC(C)OC(C)C.
What is the InChIKey of 1-butoxy-3-propan-2-yloxybutane?
The InChIKey is FFQXNWFNDMMXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-6-8-12-9-7-11(4)13-10(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-butoxy-3-propan-2-yloxybutane?
1-butoxy-3-propan-2-yloxybutane has a molecular weight of 188.31 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-propan-2-yloxybutane is sourced from PubChem (CID 173255179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).