1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol

C10H20O2 — CID 91107821

IUPAC1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol
SMILESCOC(C)(C)CC1(O)CCC1C
InChIInChI=1S/C10H20O2/c1-8-5-6-10(8,11)7-9(2,3)12-4/h8,11H,5-7H2,1-4H3
InChIKeyNKPOQOVUKBLCMQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds3

About 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol

1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol (PubChem CID 91107821) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol
PubChem CID91107821
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol
SMILESCOC(C)(C)CC1(O)CCC1C
InChIInChI=1S/C10H20O2/c1-8-5-6-10(8,11)7-9(2,3)12-4/h8,11H,5-7H2,1-4H3
InChIKeyNKPOQOVUKBLCMQ-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol (CID 91107821) is 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol is COC(C)(C)CC1(O)CCC1C.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol?
The InChIKey is NKPOQOVUKBLCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8-5-6-10(8,11)7-9(2,3)12-4/h8,11H,5-7H2,1-4H3.
What are the key properties of 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol?
1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-2-methylcyclobutan-1-ol is sourced from PubChem (CID 91107821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).