[(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene

C16H24O — CID 102422416

IUPAC[(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene
SMILESCC[C@]1(OCCC(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C16H24O/c1-4-16(17-11-10-13(2)3)12-15(16)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyBORVABYYDQKEJI-HOTGVXAUSA-N
MW232.37 g/mol
LogP4.39
Rot. Bonds6

About [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene

[(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene (PubChem CID 102422416) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene.

Molecular Properties

Compound Name[(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene
PubChem CID102422416
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name[(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene
SMILESCC[C@]1(OCCC(C)C)C[C@H]1c1ccccc1
InChIInChI=1S/C16H24O/c1-4-16(17-11-10-13(2)3)12-15(16)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3/t15-,16-/m0/s1
InChIKeyBORVABYYDQKEJI-HOTGVXAUSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
CID 178202513
1-(2-methylpropyl)-2-phenylcyclopropan-1-amine
CID 84662303
ethylbenzene;3-methyl-1-(3-methylbutoxy)butane
CID 67286495
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
(5-ethoxy-2,2-dimethyl-5-propoxycyclohexyl)benzene
CID 90277407
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
trans-(1S,2S)-2-phenyl-1-propan-2-ylcyclopropan-1-amine
CID 90206365
3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
CID 175265120
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
1-[(1R,2S)-2-phenyl-1-trimethylsilylcyclopropyl]ethanol
CID 102252697
5,5-diethyl-1-pentan-2-yl-2-phenylpiperazine
CID 64931390

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene?
The IUPAC name of [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene (CID 102422416) is [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene.
What is the SMILES notation for [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene?
The canonical SMILES for [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene is CC[C@]1(OCCC(C)C)C[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene?
The InChIKey is BORVABYYDQKEJI-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H24O/c1-4-16(17-11-10-13(2)3)12-15(16)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene?
[(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene has a molecular weight of 232.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-ethyl-2-(3-methylbutoxy)cyclopropyl]benzene is sourced from PubChem (CID 102422416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).