2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane

C24H46O7 — CID 118338950

IUPAC2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane
SMILESCCC(C)OCC1(COCC2(COC(C)CC)CCC(COC)O2)CCC(COC)O1
InChIInChI=1S/C24H46O7/c1-7-19(3)28-17-23(11-9-21(30-23)13-25-5)15-27-16-24(18-29-20(4)8-2)12-10-22(31-24)14-26-6/h19-22H,7-18H2,1-6H3
InChIKeyAXDQPWATALHCRY-UHFFFAOYSA-N
MW446.63 g/mol
LogP3.76
Rot. Bonds16

About 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane

2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane (PubChem CID 118338950) has the molecular formula C24H46O7 and a molecular weight of 446.63 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane
PubChem CID118338950
Molecular FormulaC24H46O7
Molecular Weight446.63 g/mol
Exact Mass446.32
IUPAC Name2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane
SMILESCCC(C)OCC1(COCC2(COC(C)CC)CCC(COC)O2)CCC(COC)O1
InChIInChI=1S/C24H46O7/c1-7-19(3)28-17-23(11-9-21(30-23)13-25-5)15-27-16-24(18-29-20(4)8-2)12-10-22(31-24)14-26-6/h19-22H,7-18H2,1-6H3
InChIKeyAXDQPWATALHCRY-UHFFFAOYSA-N
XLogP3.76
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane?
The IUPAC name of 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane (CID 118338950) is 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane?
The canonical SMILES for 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane is CCC(C)OCC1(COCC2(COC(C)CC)CCC(COC)O2)CCC(COC)O1.
What is the InChIKey of 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane?
The InChIKey is AXDQPWATALHCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O7/c1-7-19(3)28-17-23(11-9-21(30-23)13-25-5)15-27-16-24(18-29-20(4)8-2)12-10-22(31-24)14-26-6/h19-22H,7-18H2,1-6H3.
What are the key properties of 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane?
2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane has a molecular weight of 446.63 g/mol, XLogP of 3.76, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-2-[[2-(butan-2-yloxymethyl)-5-(methoxymethyl)oxolan-2-yl]methoxymethyl]-5-(methoxymethyl)oxolane is sourced from PubChem (CID 118338950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).