8-butyl-1,2,3,7,8,8a-hexahydronaphthalene

C14H22 — CID 143655758

IUPAC8-butyl-1,2,3,7,8,8a-hexahydronaphthalene
SMILESCCCCC1CC=CC2=CCCCC21
InChIInChI=1S/C14H22/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h6,8,10,12,14H,2-5,7,9,11H2,1H3
InChIKeyXTHJGTSSBRXQSG-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds3

About 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene

8-butyl-1,2,3,7,8,8a-hexahydronaphthalene (PubChem CID 143655758) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene.

Molecular Properties

Compound Name8-butyl-1,2,3,7,8,8a-hexahydronaphthalene
PubChem CID143655758
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name8-butyl-1,2,3,7,8,8a-hexahydronaphthalene
SMILESCCCCC1CC=CC2=CCCCC21
InChIInChI=1S/C14H22/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h6,8,10,12,14H,2-5,7,9,11H2,1H3
InChIKeyXTHJGTSSBRXQSG-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene?
The IUPAC name of 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene (CID 143655758) is 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene.
What is the SMILES notation for 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene?
The canonical SMILES for 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene is CCCCC1CC=CC2=CCCCC21.
What is the InChIKey of 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene?
The InChIKey is XTHJGTSSBRXQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h6,8,10,12,14H,2-5,7,9,11H2,1H3.
What are the key properties of 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene?
8-butyl-1,2,3,7,8,8a-hexahydronaphthalene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-1,2,3,7,8,8a-hexahydronaphthalene is sourced from PubChem (CID 143655758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).