(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane

C12H24O — CID 140898338

IUPAC(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)OCC1C[C@@H]1C(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)10-7-9(10)8-13-12(4,5)6/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyURWUDEMUJXLZQE-AXDSSHIGSA-N
MW184.32 g/mol
LogP3.48
Rot. Bonds2

About (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane

(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (PubChem CID 140898338) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.

Molecular Properties

Compound Name(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
PubChem CID140898338
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
SMILESCC(C)(C)OCC1C[C@@H]1C(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)10-7-9(10)8-13-12(4,5)6/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1
InChIKeyURWUDEMUJXLZQE-AXDSSHIGSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate
CID 165489760
1-tert-butyl-2-(fluoromethyl)cyclopropane
CID 176792850
N,N-dimethyl-1-[2-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methanamine
CID 155794241
5-[(2-methylpropan-2-yl)oxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618962
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
CID 171453991
9-[(2-methylpropan-2-yl)oxymethyl]tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139797174
3-[(2-tert-butylcyclopropyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide
CID 165494949
cis-(1R,2R)-N,N-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 155794326
trans-(1S,2S)-1-tert-butyl-2-[2-(2,2-dimethylpropoxy)ethyl]cyclopropane
CID 177285058
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921
3-[(2-methylpropan-2-yl)oxymethyl]-1-azabicyclo[2.2.2]octane
CID 58364949

Frequently Asked Questions

What is the IUPAC name of (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The IUPAC name of (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane (CID 140898338) is (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane.
What is the SMILES notation for (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The canonical SMILES for (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane is CC(C)(C)OCC1C[C@@H]1C(C)(C)C.
What is the InChIKey of (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
The InChIKey is URWUDEMUJXLZQE-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2,3)10-7-9(10)8-13-12(4,5)6/h9-10H,7-8H2,1-6H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane?
(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane has a molecular weight of 184.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane is sourced from PubChem (CID 140898338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).