3-butoxy-1-propoxybutane

C11H24O2 — CID 57175368

IUPAC3-butoxy-1-propoxybutane
SMILESCCCCOC(C)CCOCCC
InChIInChI=1S/C11H24O2/c1-4-6-9-13-11(3)7-10-12-8-5-2/h11H,4-10H2,1-3H3
InChIKeyGSUSDVPRYJURAE-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.01
Rot. Bonds9

About 3-butoxy-1-propoxybutane

3-butoxy-1-propoxybutane (PubChem CID 57175368) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-butoxy-1-propoxybutane.

Molecular Properties

Compound Name3-butoxy-1-propoxybutane
PubChem CID57175368
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name3-butoxy-1-propoxybutane
SMILESCCCCOC(C)CCOCCC
InChIInChI=1S/C11H24O2/c1-4-6-9-13-11(3)7-10-12-8-5-2/h11H,4-10H2,1-3H3
InChIKeyGSUSDVPRYJURAE-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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-(3-dodecoxybutoxy)dodecane
CID 173358855
3-ethoxy-1-propoxybutane
CID 89015567
2-butoxyhexane;ethane
CID 144590910
3-prop-2-enoxy-1-propoxybutane
CID 173418975
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
1-butoxy-3-propan-2-yloxybutane
CID 173255179
1-hexan-2-yloxydecane
CID 57029724
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
3-(2-butoxyethoxy)butyl hydrogen carbonate
CID 139923297

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-propoxybutane?
The IUPAC name of 3-butoxy-1-propoxybutane (CID 57175368) is 3-butoxy-1-propoxybutane.
What is the SMILES notation for 3-butoxy-1-propoxybutane?
The canonical SMILES for 3-butoxy-1-propoxybutane is CCCCOC(C)CCOCCC.
What is the InChIKey of 3-butoxy-1-propoxybutane?
The InChIKey is GSUSDVPRYJURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-6-9-13-11(3)7-10-12-8-5-2/h11H,4-10H2,1-3H3.
What are the key properties of 3-butoxy-1-propoxybutane?
3-butoxy-1-propoxybutane has a molecular weight of 188.31 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-propoxybutane is sourced from PubChem (CID 57175368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).