(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

C15H20 — CID 10726726

IUPAC(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCCCCc1ccc2c(c1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C15H20/c1-2-3-4-11-5-8-14-12-6-7-13(10-12)15(14)9-11/h5,8-9,12-13H,2-4,6-7,10H2,1H3/t12-,13+/m1/s1
InChIKeyAUYKWEJZSSBWEV-OLZOCXBDSA-N
MW200.32 g/mol
LogP4.39
Rot. Bonds3

About (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene

(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 10726726) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID10726726
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCCCCc1ccc2c(c1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C15H20/c1-2-3-4-11-5-8-14-12-6-7-13(10-12)15(14)9-11/h5,8-9,12-13H,2-4,6-7,10H2,1H3/t12-,13+/m1/s1
InChIKeyAUYKWEJZSSBWEV-OLZOCXBDSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10797293
7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63514769
5-(4-butyl-2-cyclohexylphenyl)-2-(4-butylphenyl)-1,3-dioxane
CID 70410239
7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305756
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975
2-cyclobutyl-1-fluoro-4-pentylbenzene
CID 143474890
2,7-dibutyl-9-ethyl-9H-thioxanthene
CID 126711043
2-methyl-4-nonyl-1-(4-nonylcyclohexyl)benzene
CID 19008146
(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014495
5-[[2-[(5-hydroxy-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)methylideneamino]-4-propylphenyl]iminomethyl]tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-ol
CID 158800895
2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene
CID 175040539
1-butyl-2,3-difluoro-4-[4-(2-fluoro-4-propylphenyl)cyclohexyl]benzene
CID 58140601

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 10726726) is (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is CCCCc1ccc2c(c1)[C@H]1CC[C@@H]2C1.
What is the InChIKey of (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is AUYKWEJZSSBWEV-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H20/c1-2-3-4-11-5-8-14-12-6-7-13(10-12)15(14)9-11/h5,8-9,12-13H,2-4,6-7,10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 200.32 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 10726726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).