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

C13H16 — CID 10797293

IUPAC(1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCCc1ccc2c(c1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C13H16/c1-2-9-3-6-12-10-4-5-11(8-10)13(12)7-9/h3,6-7,10-11H,2,4-5,8H2,1H3/t10-,11+/m1/s1
InChIKeyYXTLGGAHWZTMKR-MNOVXSKESA-N
MW172.27 g/mol
LogP3.61
Rot. Bonds1

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

(1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (PubChem CID 10797293) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
PubChem CID10797293
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name(1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
SMILESCCc1ccc2c(c1)[C@H]1CC[C@@H]2C1
InChIInChI=1S/C13H16/c1-2-9-3-6-12-10-4-5-11(8-10)13(12)7-9/h3,6-7,10-11H,2,4-5,8H2,1H3/t10-,11+/m1/s1
InChIKeyYXTLGGAHWZTMKR-MNOVXSKESA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,8R)-4-butyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10726726
2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116
6-ethyl-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 63821566
4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane
CID 159281045
6-ethyl-3-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63823010
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553
7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305796
4-(4-ethyl-2-fluorophenyl)oxane
CID 149055517
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
3-cyclopropyl-6-[(4-ethylphenyl)methyl]-2-methylpyridine
CID 143871752
1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene
CID 126723002
2-(6-ethyl-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82077013

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of (1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene (CID 10797293) is (1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for (1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for (1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is CCc1ccc2c(c1)[C@H]1CC[C@@H]2C1.
What is the InChIKey of (1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is YXTLGGAHWZTMKR-MNOVXSKESA-N. The full InChI is InChI=1S/C13H16/c1-2-9-3-6-12-10-4-5-11(8-10)13(12)7-9/h3,6-7,10-11H,2,4-5,8H2,1H3/t10-,11+/m1/s1.
What are the key properties of (1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene?
(1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 172.27 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 10797293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).