cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

C10H20O2 — CID 171453991

IUPACcis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCO[C@@H]1CC[C@H]1COC(C)(C)C
InChIInChI=1S/C10H20O2/c1-10(2,3)12-7-8-5-6-9(8)11-4/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyZYTOOYFRQCMVBA-DTWKUNHWSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane

cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (PubChem CID 171453991) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.

Molecular Properties

Compound Namecis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
PubChem CID171453991
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namecis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane
SMILESCO[C@@H]1CC[C@H]1COC(C)(C)C
InChIInChI=1S/C10H20O2/c1-10(2,3)12-7-8-5-6-9(8)11-4/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyZYTOOYFRQCMVBA-DTWKUNHWSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The IUPAC name of cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane (CID 171453991) is cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane.
What is the SMILES notation for cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The canonical SMILES for cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is CO[C@@H]1CC[C@H]1COC(C)(C)C.
What is the InChIKey of cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
The InChIKey is ZYTOOYFRQCMVBA-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)12-7-8-5-6-9(8)11-4/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane?
cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]cyclobutane is sourced from PubChem (CID 171453991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).