trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane

C12H24O2 — CID 66800520

IUPACtrans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
SMILESCC(C)(C)O[C@@H]1CC[C@H]1OC(C)(C)C
InChIInChI=1S/C12H24O2/c1-11(2,3)13-9-7-8-10(9)14-12(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyOSLPVDSQSXYSAI-NXEZZACHSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds2

About trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane

trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane (PubChem CID 66800520) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
PubChem CID66800520
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nametrans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
SMILESCC(C)(C)O[C@@H]1CC[C@H]1OC(C)(C)C
InChIInChI=1S/C12H24O2/c1-11(2,3)13-9-7-8-10(9)14-12(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyOSLPVDSQSXYSAI-NXEZZACHSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane?
The IUPAC name of trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane (CID 66800520) is trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane.
What is the SMILES notation for trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane?
The canonical SMILES for trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane is CC(C)(C)O[C@@H]1CC[C@H]1OC(C)(C)C.
What is the InChIKey of trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane?
The InChIKey is OSLPVDSQSXYSAI-NXEZZACHSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,3)13-9-7-8-10(9)14-12(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane?
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane has a molecular weight of 200.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane is sourced from PubChem (CID 66800520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).