1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane

C19H40O5 — CID 20753169

IUPAC1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane
SMILESCCCCOCC(CC)(COC)COCC(CC)(COC)COC
InChIInChI=1S/C19H40O5/c1-7-10-11-23-15-19(9-3,14-22-6)17-24-16-18(8-2,12-20-4)13-21-5/h7-17H2,1-6H3
InChIKeyRYPCORJBXMNZFI-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.55
Rot. Bonds17

About 1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane

1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane (PubChem CID 20753169) has the molecular formula C19H40O5 and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane.

Molecular Properties

Compound Name1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane
PubChem CID20753169
Molecular FormulaC19H40O5
Molecular Weight348.52 g/mol
Exact Mass348.29
IUPAC Name1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane
SMILESCCCCOCC(CC)(COC)COCC(CC)(COC)COC
InChIInChI=1S/C19H40O5/c1-7-10-11-23-15-19(9-3,14-22-6)17-24-16-18(8-2,12-20-4)13-21-5/h7-17H2,1-6H3
InChIKeyRYPCORJBXMNZFI-UHFFFAOYSA-N
XLogP3.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane?
The IUPAC name of 1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane (CID 20753169) is 1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane.
What is the SMILES notation for 1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane?
The canonical SMILES for 1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane is CCCCOCC(CC)(COC)COCC(CC)(COC)COC.
What is the InChIKey of 1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane?
The InChIKey is RYPCORJBXMNZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5/c1-7-10-11-23-15-19(9-3,14-22-6)17-24-16-18(8-2,12-20-4)13-21-5/h7-17H2,1-6H3.
What are the key properties of 1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane?
1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane has a molecular weight of 348.52 g/mol, XLogP of 3.55, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butoxymethyl)-2-(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane is sourced from PubChem (CID 20753169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).