1-(2,2-dimethylpropyl)-2-methoxycyclopropane

C9H18O — CID 21111961

IUPAC1-(2,2-dimethylpropyl)-2-methoxycyclopropane
SMILESCOC1CC1CC(C)(C)C
InChIInChI=1S/C9H18O/c1-9(2,3)6-7-5-8(7)10-4/h7-8H,5-6H2,1-4H3
InChIKeyOZLXFZSSEFHOSC-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2-methoxycyclopropane

1-(2,2-dimethylpropyl)-2-methoxycyclopropane (PubChem CID 21111961) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-methoxycyclopropane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-methoxycyclopropane
PubChem CID21111961
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-(2,2-dimethylpropyl)-2-methoxycyclopropane
SMILESCOC1CC1CC(C)(C)C
InChIInChI=1S/C9H18O/c1-9(2,3)6-7-5-8(7)10-4/h7-8H,5-6H2,1-4H3
InChIKeyOZLXFZSSEFHOSC-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-methoxycyclopropane?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-methoxycyclopropane (CID 21111961) is 1-(2,2-dimethylpropyl)-2-methoxycyclopropane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-methoxycyclopropane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-methoxycyclopropane is COC1CC1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-methoxycyclopropane?
The InChIKey is OZLXFZSSEFHOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-9(2,3)6-7-5-8(7)10-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-methoxycyclopropane?
1-(2,2-dimethylpropyl)-2-methoxycyclopropane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-methoxycyclopropane is sourced from PubChem (CID 21111961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).