[(3R)-3,4,4-trimethylpentyl]benzene

C14H22 — CID 101039673

IUPAC[(3R)-3,4,4-trimethylpentyl]benzene
SMILESC[C@H](CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22/c1-12(14(2,3)4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/t12-/m1/s1
InChIKeyARGFZFQOJRDQBO-GFCCVEGCSA-N
MW190.33 g/mol
LogP4.30
Rot. Bonds3

About [(3R)-3,4,4-trimethylpentyl]benzene

[(3R)-3,4,4-trimethylpentyl]benzene (PubChem CID 101039673) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is [(3R)-3,4,4-trimethylpentyl]benzene.

Molecular Properties

Compound Name[(3R)-3,4,4-trimethylpentyl]benzene
PubChem CID101039673
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name[(3R)-3,4,4-trimethylpentyl]benzene
SMILESC[C@H](CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22/c1-12(14(2,3)4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/t12-/m1/s1
InChIKeyARGFZFQOJRDQBO-GFCCVEGCSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968
2,2,3-trimethyl-5-phenylpentanoic acid
CID 66734335
4-(3,4,4-trimethylpentyl)benzoic acid
CID 143655581
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
(2S)-2-amino-4-phenyl-N-(2,3,3-trimethylbutyl)butanamide
CID 104984745
(2R)-4-phenylbutane-2-thiol
CID 28974861
ethene;3-methylbutylbenzene
CID 145421013
(2S)-4-phenylbutan-2-amine
CID 6994564
(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one
CID 67129592
trimethyl(2-phenylethyl)phosphanium
CID 10777798
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
CID 114333508
CID 173414157
CID 173414157

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4,4-trimethylpentyl]benzene?
The IUPAC name of [(3R)-3,4,4-trimethylpentyl]benzene (CID 101039673) is [(3R)-3,4,4-trimethylpentyl]benzene.
What is the SMILES notation for [(3R)-3,4,4-trimethylpentyl]benzene?
The canonical SMILES for [(3R)-3,4,4-trimethylpentyl]benzene is C[C@H](CCc1ccccc1)C(C)(C)C.
What is the InChIKey of [(3R)-3,4,4-trimethylpentyl]benzene?
The InChIKey is ARGFZFQOJRDQBO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22/c1-12(14(2,3)4)10-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3/t12-/m1/s1.
What are the key properties of [(3R)-3,4,4-trimethylpentyl]benzene?
[(3R)-3,4,4-trimethylpentyl]benzene has a molecular weight of 190.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4,4-trimethylpentyl]benzene is sourced from PubChem (CID 101039673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).