(1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane

C11H18 — CID 131852458

IUPAC(1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane
SMILESC1CC[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1
InChIInChI=1S/C11H18/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h8-11H,1-7H2/t8-,9+,10+,11-
InChIKeyMCKPOIFVFYONAG-CKIJPRSSSA-N
MW150.26 g/mol
LogP3.22
Rot. Bonds

About (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane

(1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane (PubChem CID 131852458) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name(1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane
PubChem CID131852458
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane
SMILESC1CC[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1
InChIInChI=1S/C11H18/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h8-11H,1-7H2/t8-,9+,10+,11-
InChIKeyMCKPOIFVFYONAG-CKIJPRSSSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane?
The IUPAC name of (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane (CID 131852458) is (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane?
The canonical SMILES for (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane is C1CC[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1.
What is the InChIKey of (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane?
The InChIKey is MCKPOIFVFYONAG-CKIJPRSSSA-N. The full InChI is InChI=1S/C11H18/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h8-11H,1-7H2/t8-,9+,10+,11-.
What are the key properties of (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane?
(1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane has a molecular weight of 150.26 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 131852458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).