(5-benzyl-5-methylheptan-3-yl)benzene

C21H28 — CID 91404994

IUPAC(5-benzyl-5-methylheptan-3-yl)benzene
SMILESCCC(CC(C)(CC)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28/c1-4-19(20-14-10-7-11-15-20)17-21(3,5-2)16-18-12-8-6-9-13-18/h6-15,19H,4-5,16-17H2,1-3H3
InChIKeyHVJXGJGZXKPNHX-UHFFFAOYSA-N
MW280.46 g/mol
LogP6.23
Rot. Bonds7

About (5-benzyl-5-methylheptan-3-yl)benzene

(5-benzyl-5-methylheptan-3-yl)benzene (PubChem CID 91404994) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is (5-benzyl-5-methylheptan-3-yl)benzene.

Molecular Properties

Compound Name(5-benzyl-5-methylheptan-3-yl)benzene
PubChem CID91404994
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Name(5-benzyl-5-methylheptan-3-yl)benzene
SMILESCCC(CC(C)(CC)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28/c1-4-19(20-14-10-7-11-15-20)17-21(3,5-2)16-18-12-8-6-9-13-18/h6-15,19H,4-5,16-17H2,1-3H3
InChIKeyHVJXGJGZXKPNHX-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-ethyl-2-methylbutyl)benzene
CID 123641908
azane;pentan-3-ylbenzene
CID 19774895
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
(2,2-dimethyl-1-phenylpentan-3-yl)benzene
CID 90849457
benzyl 2,2-dimethyl-4-phenylhexanoate
CID 20596745
(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
CID 158424284
azane;2,2-dimethylbutylbenzene
CID 175285583
(2,2-dimethyl-1-phenylheptan-3-yl)benzene
CID 173376871
N-benzyl-2-phenylbutan-1-amine
CID 60658494
4-ethyl-2-methyl-1-phenylhexan-2-amine
CID 82920478
2,2-dimethylpropylbenzene;methanol
CID 157125736
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-5-methylheptan-3-yl)benzene?
The IUPAC name of (5-benzyl-5-methylheptan-3-yl)benzene (CID 91404994) is (5-benzyl-5-methylheptan-3-yl)benzene.
What is the SMILES notation for (5-benzyl-5-methylheptan-3-yl)benzene?
The canonical SMILES for (5-benzyl-5-methylheptan-3-yl)benzene is CCC(CC(C)(CC)Cc1ccccc1)c1ccccc1.
What is the InChIKey of (5-benzyl-5-methylheptan-3-yl)benzene?
The InChIKey is HVJXGJGZXKPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-4-19(20-14-10-7-11-15-20)17-21(3,5-2)16-18-12-8-6-9-13-18/h6-15,19H,4-5,16-17H2,1-3H3.
What are the key properties of (5-benzyl-5-methylheptan-3-yl)benzene?
(5-benzyl-5-methylheptan-3-yl)benzene has a molecular weight of 280.46 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-5-methylheptan-3-yl)benzene is sourced from PubChem (CID 91404994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).