1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene

C23H32 — CID 56612113

IUPAC1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene
SMILESCCC(CC)(c1ccccc1)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C23H32/c1-7-23(8-2,21-12-10-9-11-13-21)22-15-19(17(3)4)14-20(16-22)18(5)6/h9-18H,7-8H2,1-6H3
InChIKeyKXEPRGLTAWQNFJ-UHFFFAOYSA-N
MW308.51 g/mol
LogP7.04
Rot. Bonds6

About 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene

1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene (PubChem CID 56612113) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene
PubChem CID56612113
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene
SMILESCCC(CC)(c1ccccc1)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C23H32/c1-7-23(8-2,21-12-10-9-11-13-21)22-15-19(17(3)4)14-20(16-22)18(5)6/h9-18H,7-8H2,1-6H3
InChIKeyKXEPRGLTAWQNFJ-UHFFFAOYSA-N
XLogP7.04
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 ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cumene;2-methylpropane;propane
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benzene;cumene
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cumene
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propan-2-ylcyclodecapentaene
CID 123508933
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
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(E,3R,5S)-3,5-dihydroxy-7-[4-(3-phenylpentan-3-yl)-2-propan-2-ylphenyl]hept-6-enoate
CID 91934336
CID 175757661
CID 175757661
chloromethane;cumene;ethane
CID 160847695
anthracene;benzene;ethane;octakis(2-methylpropane);naphthalene;bis(2-phenylpropan-2-ylbenzene);propane
CID 161240969
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene?
The IUPAC name of 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene (CID 56612113) is 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene is CCC(CC)(c1ccccc1)c1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene?
The InChIKey is KXEPRGLTAWQNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-7-23(8-2,21-12-10-9-11-13-21)22-15-19(17(3)4)14-20(16-22)18(5)6/h9-18H,7-8H2,1-6H3.
What are the key properties of 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene?
1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene has a molecular weight of 308.51 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpentan-3-yl)-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 56612113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).