(1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene

C14H22 — CID 59991567

IUPAC(1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene
SMILESC1=C2/CCC3CC[C@@H](C2)C[C@H](CC/1)C3
InChIInChI=1S/C14H22/c1-2-11-4-5-12-6-7-14(8-11)10-13(3-1)9-12/h2,12-14H,1,3-10H2/b11-2-/t12?,13-,14+/m1/s1
InChIKeyRDENVJMHNPZFCY-AFCCFVCLSA-N
MW190.33 g/mol
LogP4.31
Rot. Bonds

About (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene

(1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene (PubChem CID 59991567) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene.

Molecular Properties

Compound Name(1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene
PubChem CID59991567
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene
SMILESC1=C2/CCC3CC[C@@H](C2)C[C@H](CC/1)C3
InChIInChI=1S/C14H22/c1-2-11-4-5-12-6-7-14(8-11)10-13(3-1)9-12/h2,12-14H,1,3-10H2/b11-2-/t12?,13-,14+/m1/s1
InChIKeyRDENVJMHNPZFCY-AFCCFVCLSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tricyclo[9.3.1.03,8]pentadec-11-ene
CID 18736925
(1Z)-bicyclo[6.2.1]undec-1-ene
CID 149112398
bicyclo[3.3.3]undec-1(8)-ene-3-thiol
CID 123905363
octakis(bicyclo[2.2.1]hept-1-ene);sulfane
CID 70150829
bis(bicyclo[2.2.1]hept-1-ene);sulfane
CID 89183928
bicyclo[2.2.1]hept-1-ene
CID 19832543
azane;bicyclo[2.2.1]hept-1-ene
CID 18468857
tricyclo[5.3.2.04,9]dodec-1-ene
CID 90789681
bicyclo[2.2.1]hept-1-ene;molecular nitrogen
CID 70010786
bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[2.2.2]octane;bicyclo[1.1.1]pentane
CID 159708378
bicyclo[2.2.1]hept-1-ene;carbonic acid
CID 66864121
potassium;bicyclo[2.2.1]heptane;hydride
CID 173241740

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene?
The IUPAC name of (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene (CID 59991567) is (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene.
What is the SMILES notation for (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene?
The canonical SMILES for (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene is C1=C2/CCC3CC[C@@H](C2)C[C@H](CC/1)C3.
What is the InChIKey of (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene?
The InChIKey is RDENVJMHNPZFCY-AFCCFVCLSA-N. The full InChI is InChI=1S/C14H22/c1-2-11-4-5-12-6-7-14(8-11)10-13(3-1)9-12/h2,12-14H,1,3-10H2/b11-2-/t12?,13-,14+/m1/s1.
What are the key properties of (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene?
(1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene has a molecular weight of 190.33 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6E)-tricyclo[5.5.1.13,10]tetradec-6-ene is sourced from PubChem (CID 59991567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).