(2-methylpropan-2-yl)oxymethylcyclohexane

C11H22O — CID 10877561

IUPAC(2-methylpropan-2-yl)oxymethylcyclohexane
SMILESCC(C)(C)OCC1CCCCC1
InChIInChI=1S/C11H22O/c1-11(2,3)12-9-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyGIRQTQKRVLEFAT-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds2

About (2-methylpropan-2-yl)oxymethylcyclohexane

(2-methylpropan-2-yl)oxymethylcyclohexane (PubChem CID 10877561) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxymethylcyclohexane.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxymethylcyclohexane
PubChem CID10877561
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(2-methylpropan-2-yl)oxymethylcyclohexane
SMILESCC(C)(C)OCC1CCCCC1
InChIInChI=1S/C11H22O/c1-11(2,3)12-9-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyGIRQTQKRVLEFAT-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxymethylcyclohexane?
The IUPAC name of (2-methylpropan-2-yl)oxymethylcyclohexane (CID 10877561) is (2-methylpropan-2-yl)oxymethylcyclohexane.
What is the SMILES notation for (2-methylpropan-2-yl)oxymethylcyclohexane?
The canonical SMILES for (2-methylpropan-2-yl)oxymethylcyclohexane is CC(C)(C)OCC1CCCCC1.
What is the InChIKey of (2-methylpropan-2-yl)oxymethylcyclohexane?
The InChIKey is GIRQTQKRVLEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-11(2,3)12-9-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxymethylcyclohexane?
(2-methylpropan-2-yl)oxymethylcyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxymethylcyclohexane is sourced from PubChem (CID 10877561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).