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

C16H34O5 — CID 89403838

IUPAC1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane
SMILESCCC(COC)(COC)COCC(CC)(COC)COC
InChIInChI=1S/C16H34O5/c1-7-15(9-17-3,10-18-4)13-21-14-16(8-2,11-19-5)12-20-6/h7-14H2,1-6H3
InChIKeyUYCYJQIVVOHOMB-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.38
Rot. Bonds14

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

1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane (PubChem CID 89403838) has the molecular formula C16H34O5 and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane.

Molecular Properties

Compound Name1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane
PubChem CID89403838
Molecular FormulaC16H34O5
Molecular Weight306.44 g/mol
Exact Mass306.24
IUPAC Name1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane
SMILESCCC(COC)(COC)COCC(CC)(COC)COC
InChIInChI=1S/C16H34O5/c1-7-15(9-17-3,10-18-4)13-21-14-16(8-2,11-19-5)12-20-6/h7-14H2,1-6H3
InChIKeyUYCYJQIVVOHOMB-UHFFFAOYSA-N
XLogP2.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane?
The IUPAC name of 1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane (CID 89403838) is 1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane.
What is the SMILES notation for 1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane?
The canonical SMILES for 1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane is CCC(COC)(COC)COCC(CC)(COC)COC.
What is the InChIKey of 1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane?
The InChIKey is UYCYJQIVVOHOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O5/c1-7-15(9-17-3,10-18-4)13-21-14-16(8-2,11-19-5)12-20-6/h7-14H2,1-6H3.
What are the key properties of 1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane?
1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane has a molecular weight of 306.44 g/mol, XLogP of 2.38, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(methoxymethyl)butoxy]-2,2-bis(methoxymethyl)butane is sourced from PubChem (CID 89403838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).