1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene

C15H22 — CID 10798169

IUPAC1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene
SMILESCCCC[C@@H]1C[C@H]1Cc1ccc(C)cc1
InChIInChI=1S/C15H22/c1-3-4-5-14-11-15(14)10-13-8-6-12(2)7-9-13/h6-9,14-15H,3-5,10-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyWFSAMKJCVOKDAT-HUUCEWRRSA-N
MW202.34 g/mol
LogP4.36
Rot. Bonds5

About 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene

1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene (PubChem CID 10798169) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene
PubChem CID10798169
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene
SMILESCCCC[C@@H]1C[C@H]1Cc1ccc(C)cc1
InChIInChI=1S/C15H22/c1-3-4-5-14-11-15(14)10-13-8-6-12(2)7-9-13/h6-9,14-15H,3-5,10-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyWFSAMKJCVOKDAT-HUUCEWRRSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
5-[(1R,2S)-2-decylcyclopropyl]pentyl 4-methylbenzenesulfonate
CID 10916844
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
(2-butylcyclopropyl)methanamine
CID 90757424
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene?
The IUPAC name of 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene (CID 10798169) is 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene.
What is the SMILES notation for 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene?
The canonical SMILES for 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene is CCCC[C@@H]1C[C@H]1Cc1ccc(C)cc1.
What is the InChIKey of 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene?
The InChIKey is WFSAMKJCVOKDAT-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22/c1-3-4-5-14-11-15(14)10-13-8-6-12(2)7-9-13/h6-9,14-15H,3-5,10-11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene?
1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene is sourced from PubChem (CID 10798169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).