1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene

C13H18 — CID 142058084

IUPAC1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
SMILESCCc1cccc([C@@H]2CC2(C)C)c1
InChIInChI=1S/C13H18/c1-4-10-6-5-7-11(8-10)12-9-13(12,2)3/h5-8,12H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyDWVNOURDYUHDNT-LBPRGKRZSA-N
MW174.29 g/mol
LogP3.76
Rot. Bonds2

About 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene

1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene (PubChem CID 142058084) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene.

Molecular Properties

Compound Name1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
PubChem CID142058084
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
SMILESCCc1cccc([C@@H]2CC2(C)C)c1
InChIInChI=1S/C13H18/c1-4-10-6-5-7-11(8-10)12-9-13(12,2)3/h5-8,12H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyDWVNOURDYUHDNT-LBPRGKRZSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-(2,2-dimethylcyclopropyl)benzoic acid
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4-(3-ethylphenyl)-2-methylpyrrolidine
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1-ethyl-3-[1-(3-ethylphenyl)-4-methylcyclohexyl]benzene
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CID 142057885
3-(3-ethylphenyl)-3-methylcyclopentan-1-amine
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cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
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N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene?
The IUPAC name of 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene (CID 142058084) is 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene.
What is the SMILES notation for 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene?
The canonical SMILES for 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene is CCc1cccc([C@@H]2CC2(C)C)c1.
What is the InChIKey of 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene?
The InChIKey is DWVNOURDYUHDNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18/c1-4-10-6-5-7-11(8-10)12-9-13(12,2)3/h5-8,12H,4,9H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene?
1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene is sourced from PubChem (CID 142058084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).