6-tert-butyl-1,2,3,4-tetrapropylnaphthalene

C26H40 — CID 101211334

IUPAC6-tert-butyl-1,2,3,4-tetrapropylnaphthalene
SMILESCCCc1c(CCC)c(CCC)c2cc(C(C)(C)C)ccc2c1CCC
InChIInChI=1S/C26H40/c1-8-12-20-21(13-9-2)23(15-11-4)25-18-19(26(5,6)7)16-17-24(25)22(20)14-10-3/h16-18H,8-15H2,1-7H3
InChIKeyCINZETZMEWYKRV-UHFFFAOYSA-N
MW352.61 g/mol
LogP7.95
Rot. Bonds8

About 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene

6-tert-butyl-1,2,3,4-tetrapropylnaphthalene (PubChem CID 101211334) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene.

Molecular Properties

Compound Name6-tert-butyl-1,2,3,4-tetrapropylnaphthalene
PubChem CID101211334
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Name6-tert-butyl-1,2,3,4-tetrapropylnaphthalene
SMILESCCCc1c(CCC)c(CCC)c2cc(C(C)(C)C)ccc2c1CCC
InChIInChI=1S/C26H40/c1-8-12-20-21(13-9-2)23(15-11-4)25-18-19(26(5,6)7)16-17-24(25)22(20)14-10-3/h16-18H,8-15H2,1-7H3
InChIKeyCINZETZMEWYKRV-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-9,10-bis[(2,5-dimethylphenyl)methyl]-6-propylanthracene;propane
CID 143180124
(5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine
CID 114377842
1,2,3,4-tetrapropylanthracene
CID 15504630
6-methoxy-1,2,3,4-tetrapropylnaphthalene
CID 101211335
2-(3,6-ditert-butylcarbazol-9-yl)-4,6-dipropylbenzene-1,3,5-tricarbonitrile
CID 121407193
1-bromo-4-tert-butyl-2-propylbenzene
CID 174167812
3,4-dipropyl-2,6-bis(trifluoromethyl)quinoline
CID 162414555
2-N,7-N-bis(4-tert-butylphenyl)-9,10-dioctyl-2-N,7-N-diphenylphenanthrene-2,7-diamine
CID 87307828
2-tert-butyl-6-ethyl-9,10-dimethylanthracene
CID 145498323
4-tert-butyl-N-methyl-2-propylaniline
CID 130296266
2-tert-butyl-9,10-di(heptadecoxy)anthracene
CID 139930060
2-tert-butyl-9,10-dioctadecoxyanthracene
CID 139930365

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene?
The IUPAC name of 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene (CID 101211334) is 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene.
What is the SMILES notation for 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene?
The canonical SMILES for 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene is CCCc1c(CCC)c(CCC)c2cc(C(C)(C)C)ccc2c1CCC.
What is the InChIKey of 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene?
The InChIKey is CINZETZMEWYKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40/c1-8-12-20-21(13-9-2)23(15-11-4)25-18-19(26(5,6)7)16-17-24(25)22(20)14-10-3/h16-18H,8-15H2,1-7H3.
What are the key properties of 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene?
6-tert-butyl-1,2,3,4-tetrapropylnaphthalene has a molecular weight of 352.61 g/mol, XLogP of 7.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2,3,4-tetrapropylnaphthalene is sourced from PubChem (CID 101211334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).