1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane

C14H28O — CID 69307172

IUPAC1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane
SMILESCC(C)COC1(C)CCC(C(C)C)CC1
InChIInChI=1S/C14H28O/c1-11(2)10-15-14(5)8-6-13(7-9-14)12(3)4/h11-13H,6-10H2,1-5H3
InChIKeyQBWRAVKNWJXRLW-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds4

About 1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane

1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane (PubChem CID 69307172) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane
PubChem CID69307172
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane
SMILESCC(C)COC1(C)CCC(C(C)C)CC1
InChIInChI=1S/C14H28O/c1-11(2)10-15-14(5)8-6-13(7-9-14)12(3)4/h11-13H,6-10H2,1-5H3
InChIKeyQBWRAVKNWJXRLW-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-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane (CID 69307172) is 1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane is CC(C)COC1(C)CCC(C(C)C)CC1.
What is the InChIKey of 1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane?
The InChIKey is QBWRAVKNWJXRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-11(2)10-15-14(5)8-6-13(7-9-14)12(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane?
1-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane 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-methyl-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 69307172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).