1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane

C14H28O2 — CID 129155567

IUPAC1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane
SMILESCC(C)OC1C(C)(C)C(OC(C)C)C1(C)C
InChIInChI=1S/C14H28O2/c1-9(2)15-11-13(5,6)12(14(11,7)8)16-10(3)4/h9-12H,1-8H3
InChIKeyKCZZNAJDCVQMTK-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.64
Rot. Bonds4

About 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane

1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane (PubChem CID 129155567) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane
PubChem CID129155567
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane
SMILESCC(C)OC1C(C)(C)C(OC(C)C)C1(C)C
InChIInChI=1S/C14H28O2/c1-9(2)15-11-13(5,6)12(14(11,7)8)16-10(3)4/h9-12H,1-8H3
InChIKeyKCZZNAJDCVQMTK-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane?
The IUPAC name of 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane (CID 129155567) is 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane.
What is the SMILES notation for 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane?
The canonical SMILES for 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane is CC(C)OC1C(C)(C)C(OC(C)C)C1(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane?
The InChIKey is KCZZNAJDCVQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-9(2)15-11-13(5,6)12(14(11,7)8)16-10(3)4/h9-12H,1-8H3.
What are the key properties of 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane?
1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane has a molecular weight of 228.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2,4-di(propan-2-yloxy)cyclobutane is sourced from PubChem (CID 129155567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).