1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene

C14H20 — CID 59774098

IUPAC1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
SMILESCc1ccccc1[C@@H]1C[C@H]1C(C)(C)C
InChIInChI=1S/C14H20/c1-10-7-5-6-8-11(10)12-9-13(12)14(2,3)4/h5-8,12-13H,9H2,1-4H3/t12-,13+/m0/s1
InChIKeyCVOBSIRUTOPMHV-QWHCGFSZSA-N
MW188.31 g/mol
LogP4.14
Rot. Bonds1

About 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene

1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene (PubChem CID 59774098) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
PubChem CID59774098
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
SMILESCc1ccccc1[C@@H]1C[C@H]1C(C)(C)C
InChIInChI=1S/C14H20/c1-10-7-5-6-8-11(10)12-9-13(12)14(2,3)4/h5-8,12-13H,9H2,1-4H3/t12-,13+/m0/s1
InChIKeyCVOBSIRUTOPMHV-QWHCGFSZSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine
CID 130439558
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene
CID 101382283
N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
CID 94558305
4-methyl-3-(2-methylphenyl)cyclohexan-1-amine
CID 165497411
2-(2-methylphenyl)cyclopropane-1-sulfonyl chloride
CID 82368514
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
2,5,6-trimethyl-4-(2-methylphenyl)-2,3,4,5-tetrahydropyridine
CID 123537307
[4-(2-methylphenyl)thian-3-yl]methanamine
CID 84788259
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene?
The IUPAC name of 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene (CID 59774098) is 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene.
What is the SMILES notation for 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene?
The canonical SMILES for 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene is Cc1ccccc1[C@@H]1C[C@H]1C(C)(C)C.
What is the InChIKey of 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene?
The InChIKey is CVOBSIRUTOPMHV-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20/c1-10-7-5-6-8-11(10)12-9-13(12)14(2,3)4/h5-8,12-13H,9H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene?
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene is sourced from PubChem (CID 59774098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).