3,3-dimethylpentan-2-yloxycyclohexane

C13H26O — CID 131986142

IUPAC3,3-dimethylpentan-2-yloxycyclohexane
SMILESCCC(C)(C)C(C)OC1CCCCC1
InChIInChI=1S/C13H26O/c1-5-13(3,4)11(2)14-12-9-7-6-8-10-12/h11-12H,5-10H2,1-4H3
InChIKeyQSAJYRIEVZZASY-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.16
Rot. Bonds4

About 3,3-dimethylpentan-2-yloxycyclohexane

3,3-dimethylpentan-2-yloxycyclohexane (PubChem CID 131986142) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3,3-dimethylpentan-2-yloxycyclohexane.

Molecular Properties

Compound Name3,3-dimethylpentan-2-yloxycyclohexane
PubChem CID131986142
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3,3-dimethylpentan-2-yloxycyclohexane
SMILESCCC(C)(C)C(C)OC1CCCCC1
InChIInChI=1S/C13H26O/c1-5-13(3,4)11(2)14-12-9-7-6-8-10-12/h11-12H,5-10H2,1-4H3
InChIKeyQSAJYRIEVZZASY-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentan-2-yloxycyclohexane?
The IUPAC name of 3,3-dimethylpentan-2-yloxycyclohexane (CID 131986142) is 3,3-dimethylpentan-2-yloxycyclohexane.
What is the SMILES notation for 3,3-dimethylpentan-2-yloxycyclohexane?
The canonical SMILES for 3,3-dimethylpentan-2-yloxycyclohexane is CCC(C)(C)C(C)OC1CCCCC1.
What is the InChIKey of 3,3-dimethylpentan-2-yloxycyclohexane?
The InChIKey is QSAJYRIEVZZASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-13(3,4)11(2)14-12-9-7-6-8-10-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethylpentan-2-yloxycyclohexane?
3,3-dimethylpentan-2-yloxycyclohexane has a molecular weight of 198.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentan-2-yloxycyclohexane is sourced from PubChem (CID 131986142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).