1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane

C17H34 — CID 164768889

IUPAC1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane
SMILESCC(C)CC1(C)CC(C(C)C)C(C)C(C)(C)C1
InChIInChI=1S/C17H34/c1-12(2)9-17(8)10-15(13(3)4)14(5)16(6,7)11-17/h12-15H,9-11H2,1-8H3
InChIKeyXUNBABKAXRRICS-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.77
Rot. Bonds3

About 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane

1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane (PubChem CID 164768889) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane
PubChem CID164768889
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane
SMILESCC(C)CC1(C)CC(C(C)C)C(C)C(C)(C)C1
InChIInChI=1S/C17H34/c1-12(2)9-17(8)10-15(13(3)4)14(5)16(6,7)11-17/h12-15H,9-11H2,1-8H3
InChIKeyXUNBABKAXRRICS-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-4-(2-methylpropyl)pyrrolidine
CID 166463716
1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
CID 177300443
1,2,3-trimethyl-1-(2-methylpropyl)cyclobutane
CID 91220382
3,5-dimethyl-3-(2-methylpropyl)piperidine
CID 130351584
4-methyl-4-(2-methylpropyl)piperidine
CID 63156339
[3,3,5-trimethyl-5-(2-methylpropyl)cyclohexyl] cyanate
CID 162758456
1,1,3,3-tetramethyl-2-propan-2-ylcyclobutane
CID 123542682
1,2,2,3-tetramethyl-1-(2-methylpropyl)cyclobutane
CID 123680951
1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
CID 158706350
1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane
CID 123640401
1-(2-methylpropyl)bicyclo[1.1.0]butane
CID 90914425
1,1,2-trimethyl-2-(2-methylpropyl)cyclopropane
CID 123147679

Frequently Asked Questions

What is the IUPAC name of 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane?
The IUPAC name of 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane (CID 164768889) is 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane.
What is the SMILES notation for 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane?
The canonical SMILES for 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane is CC(C)CC1(C)CC(C(C)C)C(C)C(C)(C)C1.
What is the InChIKey of 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane?
The InChIKey is XUNBABKAXRRICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-12(2)9-17(8)10-15(13(3)4)14(5)16(6,7)11-17/h12-15H,9-11H2,1-8H3.
What are the key properties of 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane?
1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane has a molecular weight of 238.46 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,5-tetramethyl-5-(2-methylpropyl)-3-propan-2-ylcyclohexane is sourced from PubChem (CID 164768889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).