2,2-dimethylbutoxycyclohexane

C12H24O — CID 59409285

IUPAC2,2-dimethylbutoxycyclohexane
SMILESCCC(C)(C)COC1CCCCC1
InChIInChI=1S/C12H24O/c1-4-12(2,3)10-13-11-8-6-5-7-9-11/h11H,4-10H2,1-3H3
InChIKeyFDKGKOONRIQCQQ-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds4

About 2,2-dimethylbutoxycyclohexane

2,2-dimethylbutoxycyclohexane (PubChem CID 59409285) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,2-dimethylbutoxycyclohexane.

Molecular Properties

Compound Name2,2-dimethylbutoxycyclohexane
PubChem CID59409285
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,2-dimethylbutoxycyclohexane
SMILESCCC(C)(C)COC1CCCCC1
InChIInChI=1S/C12H24O/c1-4-12(2,3)10-13-11-8-6-5-7-9-11/h11H,4-10H2,1-3H3
InChIKeyFDKGKOONRIQCQQ-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutoxycyclohexane?
The IUPAC name of 2,2-dimethylbutoxycyclohexane (CID 59409285) is 2,2-dimethylbutoxycyclohexane.
What is the SMILES notation for 2,2-dimethylbutoxycyclohexane?
The canonical SMILES for 2,2-dimethylbutoxycyclohexane is CCC(C)(C)COC1CCCCC1.
What is the InChIKey of 2,2-dimethylbutoxycyclohexane?
The InChIKey is FDKGKOONRIQCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-12(2,3)10-13-11-8-6-5-7-9-11/h11H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethylbutoxycyclohexane?
2,2-dimethylbutoxycyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutoxycyclohexane is sourced from PubChem (CID 59409285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).