trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane

C10H20O — CID 102209276

IUPACtrans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane
SMILESC[C@H]1CCC[C@@H]1OC(C)(C)C
InChIInChI=1S/C10H20O/c1-8-6-5-7-9(8)11-10(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeySARFTAMESSMYED-IUCAKERBSA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds1

About trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane

trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane (PubChem CID 102209276) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane
PubChem CID102209276
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Nametrans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane
SMILESC[C@H]1CCC[C@@H]1OC(C)(C)C
InChIInChI=1S/C10H20O/c1-8-6-5-7-9(8)11-10(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeySARFTAMESSMYED-IUCAKERBSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane?
The IUPAC name of trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane (CID 102209276) is trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane?
The canonical SMILES for trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane is C[C@H]1CCC[C@@H]1OC(C)(C)C.
What is the InChIKey of trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane?
The InChIKey is SARFTAMESSMYED-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20O/c1-8-6-5-7-9(8)11-10(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane?
trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane is sourced from PubChem (CID 102209276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).