2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane

C29H56 — CID 167686199

IUPAC2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCC2CCCCC2C1
InChIInChI=1S/C14H26.C8H16.C7H14/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6/h11-13H,4-10H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyWGFZLRBSDLVACD-UHFFFAOYSA-N
MW404.77 g/mol
LogP9.91
Rot. Bonds

About 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane

2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane (PubChem CID 167686199) has the molecular formula C29H56 and a molecular weight of 404.77 g/mol. Its IUPAC name is 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane.

Molecular Properties

Compound Name2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane
PubChem CID167686199
Molecular FormulaC29H56
Molecular Weight404.77 g/mol
Exact Mass404.44
IUPAC Name2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCC2CCCCC2C1
InChIInChI=1S/C14H26.C8H16.C7H14/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6/h11-13H,4-10H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyWGFZLRBSDLVACD-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.77
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane 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-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 59716049
1-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;4-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;6-tert-butyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;5-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;6-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene;7-tert-butyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 158093658
2-(2-cyclohexylpropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 15920186
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
1,3-ditert-butylcyclohexane;sulfane
CID 159387743
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
tert-butylcyclopentadecane
CID 164774831
1,3-ditert-butylcyclobutane;1,4-ditert-butylcycloheptane;1,3-ditert-butylcyclohexane;1,4-ditert-butylcyclohexane;1,3-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 159836238
2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2,3-dimethylbutan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59955489
4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58527703

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane?
The IUPAC name of 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane (CID 167686199) is 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane.
What is the SMILES notation for 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane?
The canonical SMILES for 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane is CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCC2CCCCC2C1.
What is the InChIKey of 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane?
The InChIKey is WGFZLRBSDLVACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.C8H16.C7H14/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6/h11-13H,4-10H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane?
2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane has a molecular weight of 404.77 g/mol, XLogP of 9.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;tert-butylcyclobutane;tert-butylcyclopropane is sourced from PubChem (CID 167686199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).