1-butoxy-5-methoxy-3-methylpentane

C11H24O2 — CID 54415916

IUPAC1-butoxy-5-methoxy-3-methylpentane
SMILESCCCCOCCC(C)CCOC
InChIInChI=1S/C11H24O2/c1-4-5-8-13-10-7-11(2)6-9-12-3/h11H,4-10H2,1-3H3
InChIKeyLPWJCLODBKTTCO-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.87
Rot. Bonds9

About 1-butoxy-5-methoxy-3-methylpentane

1-butoxy-5-methoxy-3-methylpentane (PubChem CID 54415916) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-butoxy-5-methoxy-3-methylpentane.

Molecular Properties

Compound Name1-butoxy-5-methoxy-3-methylpentane
PubChem CID54415916
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-butoxy-5-methoxy-3-methylpentane
SMILESCCCCOCCC(C)CCOC
InChIInChI=1S/C11H24O2/c1-4-5-8-13-10-7-11(2)6-9-12-3/h11H,4-10H2,1-3H3
InChIKeyLPWJCLODBKTTCO-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-5-methoxy-3-methylpentane?
The IUPAC name of 1-butoxy-5-methoxy-3-methylpentane (CID 54415916) is 1-butoxy-5-methoxy-3-methylpentane.
What is the SMILES notation for 1-butoxy-5-methoxy-3-methylpentane?
The canonical SMILES for 1-butoxy-5-methoxy-3-methylpentane is CCCCOCCC(C)CCOC.
What is the InChIKey of 1-butoxy-5-methoxy-3-methylpentane?
The InChIKey is LPWJCLODBKTTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-5-8-13-10-7-11(2)6-9-12-3/h11H,4-10H2,1-3H3.
What are the key properties of 1-butoxy-5-methoxy-3-methylpentane?
1-butoxy-5-methoxy-3-methylpentane has a molecular weight of 188.31 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-5-methoxy-3-methylpentane is sourced from PubChem (CID 54415916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).