1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane

C14H28O — CID 23025289

IUPAC1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane
SMILESCC(C)COC(C)C1CCCC(C)(C)C1
InChIInChI=1S/C14H28O/c1-11(2)10-15-12(3)13-7-6-8-14(4,5)9-13/h11-13H,6-10H2,1-5H3
InChIKeyVKTIXTMERJYOTR-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds4

About 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane

1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane (PubChem CID 23025289) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane.

Molecular Properties

Compound Name1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane
PubChem CID23025289
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane
SMILESCC(C)COC(C)C1CCCC(C)(C)C1
InChIInChI=1S/C14H28O/c1-11(2)10-15-12(3)13-7-6-8-14(4,5)9-13/h11-13H,6-10H2,1-5H3
InChIKeyVKTIXTMERJYOTR-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane?
The IUPAC name of 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane (CID 23025289) is 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane.
What is the SMILES notation for 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane?
The canonical SMILES for 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane is CC(C)COC(C)C1CCCC(C)(C)C1.
What is the InChIKey of 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane?
The InChIKey is VKTIXTMERJYOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-11(2)10-15-12(3)13-7-6-8-14(4,5)9-13/h11-13H,6-10H2,1-5H3.
What are the key properties of 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane?
1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[1-(2-methylpropoxy)ethyl]cyclohexane is sourced from PubChem (CID 23025289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).