1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane

C17H34 — CID 158041730

IUPAC1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane
SMILESCC(C)(C)CCCC(C)(C)C1(C)CCCCC1
InChIInChI=1S/C17H34/c1-15(2,3)11-10-12-16(4,5)17(6)13-8-7-9-14-17/h7-14H2,1-6H3
InChIKeyHAPPNWCZOGKOLX-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.20
Rot. Bonds4

About 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane

1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane (PubChem CID 158041730) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane
PubChem CID158041730
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane
SMILESCC(C)(C)CCCC(C)(C)C1(C)CCCCC1
InChIInChI=1S/C17H34/c1-15(2,3)11-10-12-16(4,5)17(6)13-8-7-9-14-17/h7-14H2,1-6H3
InChIKeyHAPPNWCZOGKOLX-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane?
The IUPAC name of 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane (CID 158041730) is 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane.
What is the SMILES notation for 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane?
The canonical SMILES for 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane is CC(C)(C)CCCC(C)(C)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane?
The InChIKey is HAPPNWCZOGKOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-15(2,3)11-10-12-16(4,5)17(6)13-8-7-9-14-17/h7-14H2,1-6H3.
What are the key properties of 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane?
1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane has a molecular weight of 238.46 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2,6,6-trimethylheptan-2-yl)cyclohexane is sourced from PubChem (CID 158041730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).