3-methylbutan-2-yloxycyclohexane

C11H22O — CID 57319094

IUPAC3-methylbutan-2-yloxycyclohexane
SMILESCC(C)C(C)OC1CCCCC1
InChIInChI=1S/C11H22O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyMZELTWMYWZEPDG-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds3

About 3-methylbutan-2-yloxycyclohexane

3-methylbutan-2-yloxycyclohexane (PubChem CID 57319094) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-methylbutan-2-yloxycyclohexane.

Molecular Properties

Compound Name3-methylbutan-2-yloxycyclohexane
PubChem CID57319094
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-methylbutan-2-yloxycyclohexane
SMILESCC(C)C(C)OC1CCCCC1
InChIInChI=1S/C11H22O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyMZELTWMYWZEPDG-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 3-methylbutan-2-yloxycyclohexane?
The IUPAC name of 3-methylbutan-2-yloxycyclohexane (CID 57319094) is 3-methylbutan-2-yloxycyclohexane.
What is the SMILES notation for 3-methylbutan-2-yloxycyclohexane?
The canonical SMILES for 3-methylbutan-2-yloxycyclohexane is CC(C)C(C)OC1CCCCC1.
What is the InChIKey of 3-methylbutan-2-yloxycyclohexane?
The InChIKey is MZELTWMYWZEPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-methylbutan-2-yloxycyclohexane?
3-methylbutan-2-yloxycyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yloxycyclohexane is sourced from PubChem (CID 57319094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).