(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene

C23H32 — CID 164800464

IUPAC(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
SMILESCC(C)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
InChIInChI=1S/C23H32/c1-21(2,17-22(3,4)19-13-9-7-10-14-19)18-23(5,6)20-15-11-8-12-16-20/h7-16H,17-18H2,1-6H3
InChIKeyMNUJCAGUGHPLQF-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.75
Rot. Bonds6

About (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene

(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene (PubChem CID 164800464) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene.

Molecular Properties

Compound Name(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
PubChem CID164800464
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
SMILESCC(C)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1
InChIInChI=1S/C23H32/c1-21(2,17-22(3,4)19-13-9-7-10-14-19)18-23(5,6)20-15-11-8-12-16-20/h7-16H,17-18H2,1-6H3
InChIKeyMNUJCAGUGHPLQF-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 158792811
CID 158792811
3,3,5-trimethyl-5-phenylhexanoic acid
CID 167163397
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
methanamine;methane;2,4,4-trimethylpentan-2-ylbenzene
CID 144516441
1,4-bis(6-chloro-2,4,4,6-tetramethylheptan-2-yl)benzene
CID 22975899
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287
1-phenoxy-4-(2,4,4-trimethylhexan-2-yl)benzene
CID 123620932
[4-hydroperoxy-4-(2-hydroperoxy-4-methyl-4-phenylpentan-2-yl)peroxy-2-methylpentan-2-yl]benzene
CID 21406617
Trineophyltin hydride
CID 6327208
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2,3,3,5-tetramethyl-5-phenylhexanoic acid
CID 147319190

Frequently Asked Questions

What is the IUPAC name of (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene?
The IUPAC name of (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene (CID 164800464) is (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene.
What is the SMILES notation for (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene?
The canonical SMILES for (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene is CC(C)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1.
What is the InChIKey of (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene?
The InChIKey is MNUJCAGUGHPLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-21(2,17-22(3,4)19-13-9-7-10-14-19)18-23(5,6)20-15-11-8-12-16-20/h7-16H,17-18H2,1-6H3.
What are the key properties of (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene?
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene has a molecular weight of 308.51 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene is sourced from PubChem (CID 164800464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).