1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane

C15H30O — CID 59163185

IUPAC1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane
SMILESCC(C)COCC1CC(C)C(C)C(C)C1C
InChIInChI=1S/C15H30O/c1-10(2)8-16-9-15-7-11(3)12(4)13(5)14(15)6/h10-15H,7-9H2,1-6H3
InChIKeyHMKMBOFVXLPDMX-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.22
Rot. Bonds4

About 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane

1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane (PubChem CID 59163185) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane
PubChem CID59163185
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane
SMILESCC(C)COCC1CC(C)C(C)C(C)C1C
InChIInChI=1S/C15H30O/c1-10(2)8-16-9-15-7-11(3)12(4)13(5)14(15)6/h10-15H,7-9H2,1-6H3
InChIKeyHMKMBOFVXLPDMX-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane?
The IUPAC name of 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane (CID 59163185) is 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane?
The canonical SMILES for 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane is CC(C)COCC1CC(C)C(C)C(C)C1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane?
The InChIKey is HMKMBOFVXLPDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-10(2)8-16-9-15-7-11(3)12(4)13(5)14(15)6/h10-15H,7-9H2,1-6H3.
What are the key properties of 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane?
1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane has a molecular weight of 226.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-(2-methylpropoxymethyl)cyclohexane is sourced from PubChem (CID 59163185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).