1,3-bis(3-methyl-1-phenylpentyl)benzene

C30H38 — CID 12580773

IUPAC1,3-bis(3-methyl-1-phenylpentyl)benzene
SMILESCCC(C)CC(c1ccccc1)c1cccc(C(CC(C)CC)c2ccccc2)c1
InChIInChI=1S/C30H38/c1-5-23(3)20-29(25-14-9-7-10-15-25)27-18-13-19-28(22-27)30(21-24(4)6-2)26-16-11-8-12-17-26/h7-19,22-24,29-30H,5-6,20-21H2,1-4H3
InChIKeyAFOGBTRZYDDRIP-UHFFFAOYSA-N
MW398.63 g/mol
LogP8.82
Rot. Bonds10

About 1,3-bis(3-methyl-1-phenylpentyl)benzene

1,3-bis(3-methyl-1-phenylpentyl)benzene (PubChem CID 12580773) has the molecular formula C30H38 and a molecular weight of 398.63 g/mol. Its IUPAC name is 1,3-bis(3-methyl-1-phenylpentyl)benzene.

Molecular Properties

Compound Name1,3-bis(3-methyl-1-phenylpentyl)benzene
PubChem CID12580773
Molecular FormulaC30H38
Molecular Weight398.63 g/mol
Exact Mass398.30
IUPAC Name1,3-bis(3-methyl-1-phenylpentyl)benzene
SMILESCCC(C)CC(c1ccccc1)c1cccc(C(CC(C)CC)c2ccccc2)c1
InChIInChI=1S/C30H38/c1-5-23(3)20-29(25-14-9-7-10-15-25)27-18-13-19-28(22-27)30(21-24(4)6-2)26-16-11-8-12-17-26/h7-19,22-24,29-30H,5-6,20-21H2,1-4H3
InChIKeyAFOGBTRZYDDRIP-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methyl-1-phenylpentyl)benzene?
The IUPAC name of 1,3-bis(3-methyl-1-phenylpentyl)benzene (CID 12580773) is 1,3-bis(3-methyl-1-phenylpentyl)benzene.
What is the SMILES notation for 1,3-bis(3-methyl-1-phenylpentyl)benzene?
The canonical SMILES for 1,3-bis(3-methyl-1-phenylpentyl)benzene is CCC(C)CC(c1ccccc1)c1cccc(C(CC(C)CC)c2ccccc2)c1.
What is the InChIKey of 1,3-bis(3-methyl-1-phenylpentyl)benzene?
The InChIKey is AFOGBTRZYDDRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38/c1-5-23(3)20-29(25-14-9-7-10-15-25)27-18-13-19-28(22-27)30(21-24(4)6-2)26-16-11-8-12-17-26/h7-19,22-24,29-30H,5-6,20-21H2,1-4H3.
What are the key properties of 1,3-bis(3-methyl-1-phenylpentyl)benzene?
1,3-bis(3-methyl-1-phenylpentyl)benzene has a molecular weight of 398.63 g/mol, XLogP of 8.82, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methyl-1-phenylpentyl)benzene is sourced from PubChem (CID 12580773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).