trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane

C10H20 — CID 167553604

IUPACtrans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
SMILESCC(C)[C@@H]1C[C@H]1C(C)(C)C
InChIInChI=1S/C10H20/c1-7(2)8-6-9(8)10(3,4)5/h7-9H,6H2,1-5H3/t8-,9+/m0/s1
InChIKeyCSLQJAWEQQWTKS-DTWKUNHWSA-N
MW140.27 g/mol
LogP3.32
Rot. Bonds1

About trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane

trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane (PubChem CID 167553604) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
PubChem CID167553604
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nametrans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
SMILESCC(C)[C@@H]1C[C@H]1C(C)(C)C
InChIInChI=1S/C10H20/c1-7(2)8-6-9(8)10(3,4)5/h7-9H,6H2,1-5H3/t8-,9+/m0/s1
InChIKeyCSLQJAWEQQWTKS-DTWKUNHWSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1S,2R)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 59026893
1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol
CID 67159862
1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273921
(1R,2R,4S,5R)-5-propan-2-ylcyclohexane-1,2,4-triol
CID 157009791
2-(2-tert-butylcyclopropyl)propan-1-amine
CID 84650286
2-(2-tert-butylcyclopropyl)propanoic acid
CID 84653839
1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane
CID 177164103
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112
2-tert-butyl-5-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 155634444
1-tert-butyl-2,4-di(propan-2-yl)cyclopentane;2,4,5-trimethyl-1,3-oxazole
CID 158011679
1,3-ditert-butyl-5-methyl-2-propan-2-ylcyclohexane
CID 140714074
cis-(2R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 157009951

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane?
The IUPAC name of trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane (CID 167553604) is trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane.
What is the SMILES notation for trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane?
The canonical SMILES for trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane is CC(C)[C@@H]1C[C@H]1C(C)(C)C.
What is the InChIKey of trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane?
The InChIKey is CSLQJAWEQQWTKS-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20/c1-7(2)8-6-9(8)10(3,4)5/h7-9H,6H2,1-5H3/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane?
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane has a molecular weight of 140.27 g/mol, XLogP of 3.32, 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-tert-butyl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 167553604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).