trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane

C9H18 — CID 6427928

IUPACtrans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC[C@H]1C
InChIInChI=1S/C9H18/c1-7(2)9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyCGWXYEIWDQDFIU-BDAKNGLRSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds1

About trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane

trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane (PubChem CID 6427928) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane
PubChem CID6427928
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nametrans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC[C@H]1C
InChIInChI=1S/C9H18/c1-7(2)9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyCGWXYEIWDQDFIU-BDAKNGLRSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane?
The IUPAC name of trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane (CID 6427928) is trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane.
What is the SMILES notation for trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane?
The canonical SMILES for trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane is CC(C)[C@@H]1CCC[C@H]1C.
What is the InChIKey of trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane?
The InChIKey is CGWXYEIWDQDFIU-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18/c1-7(2)9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane?
trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopentane is sourced from PubChem (CID 6427928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).