4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane

C20H42 — CID 167346782

IUPAC4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
SMILESCC(C)CC(CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C20H42/c1-16(2)12-20(13-17(3,4)5,14-18(6,7)8)15-19(9,10)11/h16H,12-15H2,1-11H3
InChIKeyOYAXITLXCKELMQ-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.33
Rot. Bonds5

About 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane

4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane (PubChem CID 167346782) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
PubChem CID167346782
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane
SMILESCC(C)CC(CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C20H42/c1-16(2)12-20(13-17(3,4)5,14-18(6,7)8)15-19(9,10)11/h16H,12-15H2,1-11H3
InChIKeyOYAXITLXCKELMQ-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol
CID 15152905
N-ethylethanamine;2,2,4,4,6-pentamethylheptane
CID 177149060
4,4-bis(bromomethyl)-2,6-dimethylheptane
CID 79453294
3,5,5-trimethyl-3-(2-methylpropyl)hexan-2-one
CID 130306251
2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane
CID 158412329
tris(2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane);methane
CID 167580098
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
CID 174450797
CID 174450797
2,2,4,4,6-pentamethylheptane-1-thiol
CID 175071288
pentacontane;2,2,4-trimethylpentane
CID 174882537
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane?
The IUPAC name of 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane (CID 167346782) is 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane is CC(C)CC(CC(C)(C)C)(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane?
The InChIKey is OYAXITLXCKELMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-16(2)12-20(13-17(3,4)5,14-18(6,7)8)15-19(9,10)11/h16H,12-15H2,1-11H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane?
4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane has a molecular weight of 282.56 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2,2,6,6-tetramethyl-4-(2-methylpropyl)heptane is sourced from PubChem (CID 167346782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).