(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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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).