1,3-bis(2,2-dimethylpropyl)-5-propylbenzene

C19H32 — CID 171405016

IUPAC1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
SMILESCCCc1cc(CC(C)(C)C)cc(CC(C)(C)C)c1
InChIInChI=1S/C19H32/c1-8-9-15-10-16(13-18(2,3)4)12-17(11-15)14-19(5,6)7/h10-12H,8-9,13-14H2,1-7H3
InChIKeyFOSBSGCWXXOISF-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.82
Rot. Bonds4

About 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene

1,3-bis(2,2-dimethylpropyl)-5-propylbenzene (PubChem CID 171405016) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene.

Molecular Properties

Compound Name1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
PubChem CID171405016
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
SMILESCCCc1cc(CC(C)(C)C)cc(CC(C)(C)C)c1
InChIInChI=1S/C19H32/c1-8-9-15-10-16(13-18(2,3)4)12-17(11-15)14-19(5,6)7/h10-12H,8-9,13-14H2,1-7H3
InChIKeyFOSBSGCWXXOISF-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,2-dimethylpropyl)-5-propylpyridine
CID 129191291
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
(3,5-dipropylphenyl)methanol
CID 23592581
1-propyl-3,5-bis(2,4,4-trimethylpentan-2-yl)benzene
CID 140993101
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
2-tert-butyl-1,3,5-tripropylbenzene
CID 123952647
2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol
CID 129085390
[3-(2,2-dimethylpropyl)phenyl]methanol
CID 23381572
2,7-bis(2,2-dimethylpropyl)naphthalene
CID 147176407
2-(2,2-dimethylpropyl)-5-propyl-1,3-benzoxazol-7-amine
CID 82232206
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene?
The IUPAC name of 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene (CID 171405016) is 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene.
What is the SMILES notation for 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene?
The canonical SMILES for 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene is CCCc1cc(CC(C)(C)C)cc(CC(C)(C)C)c1.
What is the InChIKey of 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene?
The InChIKey is FOSBSGCWXXOISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-8-9-15-10-16(13-18(2,3)4)12-17(11-15)14-19(5,6)7/h10-12H,8-9,13-14H2,1-7H3.
What are the key properties of 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene?
1,3-bis(2,2-dimethylpropyl)-5-propylbenzene has a molecular weight of 260.46 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-dimethylpropyl)-5-propylbenzene is sourced from PubChem (CID 171405016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).