5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane

C19H32 — CID 145177896

IUPAC5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane
SMILESCCC(C)C1CC2CC3(C)CCCCC34C2CC14C
InChIInChI=1S/C19H32/c1-5-13(2)15-10-14-11-17(3)8-6-7-9-19(17)16(14)12-18(15,19)4/h13-16H,5-12H2,1-4H3
InChIKeyODATXHZIHAFWBS-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.67
Rot. Bonds2

About 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane

5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane (PubChem CID 145177896) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane.

Molecular Properties

Compound Name5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane
PubChem CID145177896
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane
SMILESCCC(C)C1CC2CC3(C)CCCCC34C2CC14C
InChIInChI=1S/C19H32/c1-5-13(2)15-10-14-11-17(3)8-6-7-9-19(17)16(14)12-18(15,19)4/h13-16H,5-12H2,1-4H3
InChIKeyODATXHZIHAFWBS-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane with MolForge

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Related Compounds

(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium
CID 123785816
2-butan-2-yladamantan-1-ol
CID 139951013
2-butan-2-yl-1-ethylcyclohexan-1-ol
CID 154099705
2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane
CID 123651736
2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid
CID 70517703
3-butan-2-yl-2-azaspiro[3.4]octane
CID 130575209
2-butan-2-yl-1-methyl-1-propylcyclobutane
CID 145223890
7-methyl-7-(1-methylcyclodecyl)-3-pentan-2-yl-1,2,3,4,4a,5,6,8,9,9a-decahydrobenzo[7]annulene
CID 123756090
17-[(2R)-butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145358699
17-butan-2-yl-7-butyl-7,10,13,14-tetramethyl-2,3,4,5,6,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 156896886
2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane
CID 123269538

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane?
The IUPAC name of 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane (CID 145177896) is 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane.
What is the SMILES notation for 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane?
The canonical SMILES for 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane is CCC(C)C1CC2CC3(C)CCCCC34C2CC14C.
What is the InChIKey of 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane?
The InChIKey is ODATXHZIHAFWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-5-13(2)15-10-14-11-17(3)8-6-7-9-19(17)16(14)12-18(15,19)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane?
5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane has a molecular weight of 260.46 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4,9-dimethyltetracyclo[7.4.0.01,4.02,7]tridecane is sourced from PubChem (CID 145177896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).