1-methoxy-4,4-bis(propoxymethyl)hexane

C15H32O3 — CID 59502475

IUPAC1-methoxy-4,4-bis(propoxymethyl)hexane
SMILESCCCOCC(CC)(CCCOC)COCCC
InChIInChI=1S/C15H32O3/c1-5-10-17-13-15(7-3,9-8-12-16-4)14-18-11-6-2/h5-14H2,1-4H3
InChIKeyKROLYIWUWOEIKW-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.66
Rot. Bonds13

About 1-methoxy-4,4-bis(propoxymethyl)hexane

1-methoxy-4,4-bis(propoxymethyl)hexane (PubChem CID 59502475) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-methoxy-4,4-bis(propoxymethyl)hexane.

Molecular Properties

Compound Name1-methoxy-4,4-bis(propoxymethyl)hexane
PubChem CID59502475
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name1-methoxy-4,4-bis(propoxymethyl)hexane
SMILESCCCOCC(CC)(CCCOC)COCCC
InChIInChI=1S/C15H32O3/c1-5-10-17-13-15(7-3,9-8-12-16-4)14-18-11-6-2/h5-14H2,1-4H3
InChIKeyKROLYIWUWOEIKW-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-4,4-bis(propoxymethyl)hexane?
The IUPAC name of 1-methoxy-4,4-bis(propoxymethyl)hexane (CID 59502475) is 1-methoxy-4,4-bis(propoxymethyl)hexane.
What is the SMILES notation for 1-methoxy-4,4-bis(propoxymethyl)hexane?
The canonical SMILES for 1-methoxy-4,4-bis(propoxymethyl)hexane is CCCOCC(CC)(CCCOC)COCCC.
What is the InChIKey of 1-methoxy-4,4-bis(propoxymethyl)hexane?
The InChIKey is KROLYIWUWOEIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-5-10-17-13-15(7-3,9-8-12-16-4)14-18-11-6-2/h5-14H2,1-4H3.
What are the key properties of 1-methoxy-4,4-bis(propoxymethyl)hexane?
1-methoxy-4,4-bis(propoxymethyl)hexane has a molecular weight of 260.42 g/mol, XLogP of 3.66, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,4-bis(propoxymethyl)hexane is sourced from PubChem (CID 59502475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).