(5,5-dimethyl-1-phenylheptyl)benzene

C21H28 — CID 57073199

IUPAC(5,5-dimethyl-1-phenylheptyl)benzene
SMILESCCC(C)(C)CCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28/c1-4-21(2,3)17-11-16-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,4,11,16-17H2,1-3H3
InChIKeyNSPQMJAAENPGOM-UHFFFAOYSA-N
MW280.46 g/mol
LogP6.43
Rot. Bonds7

About (5,5-dimethyl-1-phenylheptyl)benzene

(5,5-dimethyl-1-phenylheptyl)benzene (PubChem CID 57073199) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is (5,5-dimethyl-1-phenylheptyl)benzene.

Molecular Properties

Compound Name(5,5-dimethyl-1-phenylheptyl)benzene
PubChem CID57073199
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Name(5,5-dimethyl-1-phenylheptyl)benzene
SMILESCCC(C)(C)CCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28/c1-4-21(2,3)17-11-16-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,4,11,16-17H2,1-3H3
InChIKeyNSPQMJAAENPGOM-UHFFFAOYSA-N
XLogP6.43
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 ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N,N,2-trimethyl-6,6-diphenylhexan-2-amine;hydrochloride
CID 3044120
6,6-diphenylhexan-3-ol
CID 57258566
2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757
(2R)-2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 175322110
12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
7,7-diphenylheptan-3-amine
CID 21426298
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
N-[2-(4,4-dimethylhexyl)-7,7-dimethyl-8-phenyloctyl]aniline
CID 178104585
2-(1-phenylpentyl)phenol
CID 19601156
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405
2-acetyl-10,10-diphenyldecanoic acid
CID 69432252
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-1-phenylheptyl)benzene?
The IUPAC name of (5,5-dimethyl-1-phenylheptyl)benzene (CID 57073199) is (5,5-dimethyl-1-phenylheptyl)benzene.
What is the SMILES notation for (5,5-dimethyl-1-phenylheptyl)benzene?
The canonical SMILES for (5,5-dimethyl-1-phenylheptyl)benzene is CCC(C)(C)CCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (5,5-dimethyl-1-phenylheptyl)benzene?
The InChIKey is NSPQMJAAENPGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-4-21(2,3)17-11-16-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,4,11,16-17H2,1-3H3.
What are the key properties of (5,5-dimethyl-1-phenylheptyl)benzene?
(5,5-dimethyl-1-phenylheptyl)benzene has a molecular weight of 280.46 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-1-phenylheptyl)benzene is sourced from PubChem (CID 57073199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).