(2-butyl-1,1-diphenyldecyl)benzene

C32H42 — CID 150177254

IUPAC(2-butyl-1,1-diphenyldecyl)benzene
SMILESCCCCCCCCC(CCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42/c1-3-5-7-8-9-13-21-28(20-6-4-2)32(29-22-14-10-15-23-29,30-24-16-11-17-25-30)31-26-18-12-19-27-31/h10-12,14-19,22-28H,3-9,13,20-21H2,1-2H3
InChIKeyFKRGVGXGTZZHEP-UHFFFAOYSA-N
MW426.69 g/mol
LogP9.58
Rot. Bonds14

About (2-butyl-1,1-diphenyldecyl)benzene

(2-butyl-1,1-diphenyldecyl)benzene (PubChem CID 150177254) has the molecular formula C32H42 and a molecular weight of 426.69 g/mol. Its IUPAC name is (2-butyl-1,1-diphenyldecyl)benzene.

Molecular Properties

Compound Name(2-butyl-1,1-diphenyldecyl)benzene
PubChem CID150177254
Molecular FormulaC32H42
Molecular Weight426.69 g/mol
Exact Mass426.33
IUPAC Name(2-butyl-1,1-diphenyldecyl)benzene
SMILESCCCCCCCCC(CCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42/c1-3-5-7-8-9-13-21-28(20-6-4-2)32(29-22-14-10-15-23-29,30-24-16-11-17-25-30)31-26-18-12-19-27-31/h10-12,14-19,22-28H,3-9,13,20-21H2,1-2H3
InChIKeyFKRGVGXGTZZHEP-UHFFFAOYSA-N
XLogP9.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 150569123
(3-ethyl-2-methylnonan-2-yl)benzene
CID 143461703
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252
7-butyl-9-ethyl-8-phenylhexadecan-8-amine
CID 71195248
(1,1,1-trifluoro-3-octyl-2-phenyltridecan-2-yl)benzene
CID 151544877
1,1,1-triphenylhexan-2-amine
CID 164823082
1,1,1,2,3-pentachlorodecan-2-ylbenzene
CID 150798640
4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol
CID 150432163
1,1,2,2,3-pentabromododecylbenzene
CID 67852937
2-methyl-2-phenylnonan-3-amine
CID 63420123
tert-butylbenzene;hexane
CID 175254424
3-[phenyl-di(propan-2-yloxy)methyl]undecan-1-amine
CID 151322746

Frequently Asked Questions

What is the IUPAC name of (2-butyl-1,1-diphenyldecyl)benzene?
The IUPAC name of (2-butyl-1,1-diphenyldecyl)benzene (CID 150177254) is (2-butyl-1,1-diphenyldecyl)benzene.
What is the SMILES notation for (2-butyl-1,1-diphenyldecyl)benzene?
The canonical SMILES for (2-butyl-1,1-diphenyldecyl)benzene is CCCCCCCCC(CCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-butyl-1,1-diphenyldecyl)benzene?
The InChIKey is FKRGVGXGTZZHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42/c1-3-5-7-8-9-13-21-28(20-6-4-2)32(29-22-14-10-15-23-29,30-24-16-11-17-25-30)31-26-18-12-19-27-31/h10-12,14-19,22-28H,3-9,13,20-21H2,1-2H3.
What are the key properties of (2-butyl-1,1-diphenyldecyl)benzene?
(2-butyl-1,1-diphenyldecyl)benzene has a molecular weight of 426.69 g/mol, XLogP of 9.58, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1,1-diphenyldecyl)benzene is sourced from PubChem (CID 150177254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).