[(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene

C28H34 — CID 158981757

IUPAC[(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene
SMILESCC(C)(C)CC[C@](C)(c1ccccc1)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34/c1-26(2,3)21-22-27(4,23-15-9-6-10-16-23)28(5,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20H,21-22H2,1-5H3/t27-/m1/s1
InChIKeyXRPPEYONWGOIOV-HHHXNRCGSA-N
MW370.58 g/mol
LogP7.78
Rot. Bonds6

About [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene

[(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene (PubChem CID 158981757) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene.

Molecular Properties

Compound Name[(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene
PubChem CID158981757
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name[(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene
SMILESCC(C)(C)CC[C@](C)(c1ccccc1)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34/c1-26(2,3)21-22-27(4,23-15-9-6-10-16-23)28(5,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20H,21-22H2,1-5H3/t27-/m1/s1
InChIKeyXRPPEYONWGOIOV-HHHXNRCGSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-dimethyl-3,4-diphenylhexane-1,6-diol
CID 102025625
[(3S)-2,2,3-trimethylheptan-3-yl]benzene
CID 158389582
(3,3-dimethyl-2-phenylheptan-2-yl)benzene
CID 139749587
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
[(3S)-1-methoxy-3,4,4-trimethylpentan-3-yl]benzene
CID 158389580
CID 171375456
CID 171375456
2-phenylpropan-2-ylbenzene
CID 13065
3,6,6-trimethyl-1,3-diphenylheptan-1-one
CID 102429461
triphenyl(2,5,5-trimethylhexan-2-yl)phosphanium
CID 166960898
CID 158792811
CID 158792811
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139
tert-butylbenzene;chloromethane;ethane
CID 91149652

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene?
The IUPAC name of [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene (CID 158981757) is [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene.
What is the SMILES notation for [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene?
The canonical SMILES for [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene is CC(C)(C)CC[C@](C)(c1ccccc1)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene?
The InChIKey is XRPPEYONWGOIOV-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H34/c1-26(2,3)21-22-27(4,23-15-9-6-10-16-23)28(5,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20H,21-22H2,1-5H3/t27-/m1/s1.
What are the key properties of [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene?
[(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene has a molecular weight of 370.58 g/mol, XLogP of 7.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,6,6-trimethyl-2,2-diphenylheptan-3-yl]benzene is sourced from PubChem (CID 158981757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).