trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane

C11H22O — CID 153444670

IUPACtrans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane
SMILESCC(C)O[C@H]1CCC[C@@H]1C(C)C
InChIInChI=1S/C11H22O/c1-8(2)10-6-5-7-11(10)12-9(3)4/h8-11H,5-7H2,1-4H3/t10-,11+/m1/s1
InChIKeyFSGCOPWJYGGEPP-MNOVXSKESA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds3

About trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane

trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane (PubChem CID 153444670) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane
PubChem CID153444670
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nametrans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane
SMILESCC(C)O[C@H]1CCC[C@@H]1C(C)C
InChIInChI=1S/C11H22O/c1-8(2)10-6-5-7-11(10)12-9(3)4/h8-11H,5-7H2,1-4H3/t10-,11+/m1/s1
InChIKeyFSGCOPWJYGGEPP-MNOVXSKESA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane?
The IUPAC name of trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane (CID 153444670) is trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane.
What is the SMILES notation for trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane?
The canonical SMILES for trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane is CC(C)O[C@H]1CCC[C@@H]1C(C)C.
What is the InChIKey of trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane?
The InChIKey is FSGCOPWJYGGEPP-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)10-6-5-7-11(10)12-9(3)4/h8-11H,5-7H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane?
trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-propan-2-yl-2-propan-2-yloxycyclopentane is sourced from PubChem (CID 153444670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).