1-(butoxymethoxy)butane

C9H20O2 — CID 17379

IUPAC1-(butoxymethoxy)butane
SMILESCCCCOCOCCCC
InChIInChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3
InChIKeyQLCJOAMJPCOIDI-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.58
Rot. Bonds8

About 1-(butoxymethoxy)butane

1-(butoxymethoxy)butane (PubChem CID 17379) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(butoxymethoxy)butane.

Molecular Properties

Compound Name1-(butoxymethoxy)butane
PubChem CID17379
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-(butoxymethoxy)butane
SMILESCCCCOCOCCCC
InChIInChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3
InChIKeyQLCJOAMJPCOIDI-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Pentane, 1-(1-ethoxyethoxy)-
CID 114523
1-Butoxy-1-ethoxyethane
CID 552119
Ethyl orthoformate
CID 31214
Acetaldehyde, dibutyl acetal
CID 79117
1,1-Diethoxypentane
CID 77223
1,1,3-Triethoxypropane
CID 24624
1,1-Dipropoxyethane
CID 66929
1,1-Diethoxybutane
CID 77225
Tripropyl orthoformate
CID 69311
1-(1-Ethoxybutoxy)pentane
CID 53422437
Ethyl orthopropionate
CID 66995
Dipropoxymethane
CID 68165

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethoxy)butane?
The IUPAC name of 1-(butoxymethoxy)butane (CID 17379) is 1-(butoxymethoxy)butane.
What is the SMILES notation for 1-(butoxymethoxy)butane?
The canonical SMILES for 1-(butoxymethoxy)butane is CCCCOCOCCCC.
What is the InChIKey of 1-(butoxymethoxy)butane?
The InChIKey is QLCJOAMJPCOIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3.
What are the key properties of 1-(butoxymethoxy)butane?
1-(butoxymethoxy)butane has a molecular weight of 160.26 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethoxy)butane is sourced from PubChem (CID 17379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).