(3-tert-butyl-4,4-dimethylpentyl)benzene

C17H28 — CID 54223968

IUPAC(3-tert-butyl-4,4-dimethylpentyl)benzene
SMILESCC(C)(C)C(CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28/c1-16(2,3)15(17(4,5)6)13-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3
InChIKeyKORWKQDITAZZFE-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.33
Rot. Bonds3

About (3-tert-butyl-4,4-dimethylpentyl)benzene

(3-tert-butyl-4,4-dimethylpentyl)benzene (PubChem CID 54223968) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is (3-tert-butyl-4,4-dimethylpentyl)benzene.

Molecular Properties

Compound Name(3-tert-butyl-4,4-dimethylpentyl)benzene
PubChem CID54223968
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name(3-tert-butyl-4,4-dimethylpentyl)benzene
SMILESCC(C)(C)C(CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28/c1-16(2,3)15(17(4,5)6)13-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3
InChIKeyKORWKQDITAZZFE-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
(2R)-2-tert-butyl-3-(2-phenylethyl)butanedioic acid
CID 70166534
[3-(benzylsulfanylmethyl)-4,4-dimethylpentyl]benzene
CID 54500098
4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
CID 66867219
(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one
CID 67129592
ethene;3-methylbutylbenzene
CID 145421013
(2R)-4-phenylbutane-2-thiol
CID 28974861
(2S)-4-phenylbutan-2-amine
CID 6994564
3-(trifluoromethylsulfanyl)butylbenzene
CID 138974426
[4-(bromomethyl)-5,5-dimethylhexyl]benzene
CID 83141914
2,2,3-trimethyl-5-phenylpentanoic acid
CID 66734335

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4,4-dimethylpentyl)benzene?
The IUPAC name of (3-tert-butyl-4,4-dimethylpentyl)benzene (CID 54223968) is (3-tert-butyl-4,4-dimethylpentyl)benzene.
What is the SMILES notation for (3-tert-butyl-4,4-dimethylpentyl)benzene?
The canonical SMILES for (3-tert-butyl-4,4-dimethylpentyl)benzene is CC(C)(C)C(CCc1ccccc1)C(C)(C)C.
What is the InChIKey of (3-tert-butyl-4,4-dimethylpentyl)benzene?
The InChIKey is KORWKQDITAZZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-16(2,3)15(17(4,5)6)13-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3.
What are the key properties of (3-tert-butyl-4,4-dimethylpentyl)benzene?
(3-tert-butyl-4,4-dimethylpentyl)benzene has a molecular weight of 232.41 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4,4-dimethylpentyl)benzene is sourced from PubChem (CID 54223968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).