1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane

C16H32O2 — CID 155392929

IUPAC1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane
SMILESCCC(COC(C)(C)CCOC(C)C)C1CCC1
InChIInChI=1S/C16H32O2/c1-6-14(15-8-7-9-15)12-18-16(4,5)10-11-17-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyGXAYZZTVFDPFLY-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.42
Rot. Bonds9

About 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane

1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane (PubChem CID 155392929) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane.

Molecular Properties

Compound Name1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane
PubChem CID155392929
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane
SMILESCCC(COC(C)(C)CCOC(C)C)C1CCC1
InChIInChI=1S/C16H32O2/c1-6-14(15-8-7-9-15)12-18-16(4,5)10-11-17-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyGXAYZZTVFDPFLY-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane?
The IUPAC name of 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane (CID 155392929) is 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane.
What is the SMILES notation for 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane?
The canonical SMILES for 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane is CCC(COC(C)(C)CCOC(C)C)C1CCC1.
What is the InChIKey of 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane?
The InChIKey is GXAYZZTVFDPFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-14(15-8-7-9-15)12-18-16(4,5)10-11-17-13(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane?
1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane has a molecular weight of 256.43 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-propan-2-yloxybutan-2-yl)oxybutan-2-ylcyclobutane is sourced from PubChem (CID 155392929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).