[(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene

C14H20 — CID 102577141

IUPAC[(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene
SMILESCC(C)[C@@H]1C[C@]1(C)Cc1ccccc1
InChIInChI=1S/C14H20/c1-11(2)13-10-14(13,3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyDESFHJKLXAZVDK-KBPBESRZSA-N
MW188.31 g/mol
LogP3.91
Rot. Bonds3

About [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene

[(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene (PubChem CID 102577141) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene.

Molecular Properties

Compound Name[(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene
PubChem CID102577141
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name[(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene
SMILESCC(C)[C@@H]1C[C@]1(C)Cc1ccccc1
InChIInChI=1S/C14H20/c1-11(2)13-10-14(13,3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyDESFHJKLXAZVDK-KBPBESRZSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
3-benzyl-3-methyloxiran-2-amine
CID 130712281
1-benzyl-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 166504835
[(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol
CID 118556661
[(1R,2S)-1-methyl-2-[1-(2-methylphenyl)ethyl]cyclopropyl]methanol
CID 118564070
3-benzyl-N,3-dimethylcyclopentan-1-amine
CID 116538980
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
2-benzyl-2-propan-2-ylpyrrolidine
CID 66466509
(1R,3R,3aS,8bS)-3a-benzyl-3-propan-2-yl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
CID 162417929
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
3-benzyl-3-methyl-6,10-dithiaspiro[4.5]decan-4-ol
CID 589285

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene?
The IUPAC name of [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene (CID 102577141) is [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene.
What is the SMILES notation for [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene?
The canonical SMILES for [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene is CC(C)[C@@H]1C[C@]1(C)Cc1ccccc1.
What is the InChIKey of [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene?
The InChIKey is DESFHJKLXAZVDK-KBPBESRZSA-N. The full InChI is InChI=1S/C14H20/c1-11(2)13-10-14(13,3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene?
[(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene has a molecular weight of 188.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-methyl-2-propan-2-ylcyclopropyl]methylbenzene is sourced from PubChem (CID 102577141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).