1-butoxy-4-methoxypentane

C10H22O2 — CID 91807303

IUPAC1-butoxy-4-methoxypentane
SMILESCCCCOCCCC(C)OC
InChIInChI=1S/C10H22O2/c1-4-5-8-12-9-6-7-10(2)11-3/h10H,4-9H2,1-3H3
InChIKeyHOXMOIYFZGRKCL-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.62
Rot. Bonds8

About 1-butoxy-4-methoxypentane

1-butoxy-4-methoxypentane (PubChem CID 91807303) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-butoxy-4-methoxypentane.

Molecular Properties

Compound Name1-butoxy-4-methoxypentane
PubChem CID91807303
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-butoxy-4-methoxypentane
SMILESCCCCOCCCC(C)OC
InChIInChI=1S/C10H22O2/c1-4-5-8-12-9-6-7-10(2)11-3/h10H,4-9H2,1-3H3
InChIKeyHOXMOIYFZGRKCL-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.62
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

ethane;2-methoxyhexane
CID 91199174
1-butoxybutane;methoxymethane
CID 18401298
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-butoxy-3-propan-2-yloxybutane
CID 173255179
1-methoxypentane;2-methoxypentane
CID 158569369
butane-2,3-diol;1-butoxybutane
CID 87169993
2-methoxy-6,10-dimethyltridecane
CID 91615428
butyl 3-methoxybutyl carbonate
CID 87247600
4-[2-(2-butoxyethoxy)ethoxy]-1-chloro-2-methylbutane
CID 104568686
4-methoxy-N-pentylpentan-1-amine
CID 70456658
aluminum;1-butoxybutane;hydride
CID 174684135
(Z)-12-methoxytridec-5-ene
CID 87205093

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-methoxypentane?
The IUPAC name of 1-butoxy-4-methoxypentane (CID 91807303) is 1-butoxy-4-methoxypentane.
What is the SMILES notation for 1-butoxy-4-methoxypentane?
The canonical SMILES for 1-butoxy-4-methoxypentane is CCCCOCCCC(C)OC.
What is the InChIKey of 1-butoxy-4-methoxypentane?
The InChIKey is HOXMOIYFZGRKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-5-8-12-9-6-7-10(2)11-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-butoxy-4-methoxypentane?
1-butoxy-4-methoxypentane has a molecular weight of 174.28 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-methoxypentane is sourced from PubChem (CID 91807303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).