1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane

C17H34 — CID 143373737

IUPAC1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane
SMILESCC(C)(C)C(C)(C)C(C)(C)C1(C)CCCCC1
InChIInChI=1S/C17H34/c1-14(2,3)15(4,5)16(6,7)17(8)12-10-9-11-13-17/h9-13H2,1-8H3
InChIKeyGIKIYLVQROJXEX-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds2

About 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane

1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane (PubChem CID 143373737) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane
PubChem CID143373737
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane
SMILESCC(C)(C)C(C)(C)C(C)(C)C1(C)CCCCC1
InChIInChI=1S/C17H34/c1-14(2,3)15(4,5)16(6,7)17(8)12-10-9-11-13-17/h9-13H2,1-8H3
InChIKeyGIKIYLVQROJXEX-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane?
The IUPAC name of 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane (CID 143373737) is 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane.
What is the SMILES notation for 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane?
The canonical SMILES for 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane is CC(C)(C)C(C)(C)C(C)(C)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane?
The InChIKey is GIKIYLVQROJXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-14(2,3)15(4,5)16(6,7)17(8)12-10-9-11-13-17/h9-13H2,1-8H3.
What are the key properties of 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane?
1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2,3,3,4,4-pentamethylpentan-2-yl)cyclohexane is sourced from PubChem (CID 143373737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).