3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane

C14H18O — CID 15498999

IUPAC3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane
SMILESC1C2CC3C1C3C2OC1C2CC3C(C2)C31
InChIInChI=1S/C14H18O/c1-5-2-8-7(1)11(8)13(5)15-14-6-3-9-10(4-6)12(9)14/h5-14H,1-4H2
InChIKeyXSQRDRJZFZHPQI-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.31
Rot. Bonds2

About 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane

3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane (PubChem CID 15498999) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane
PubChem CID15498999
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane
SMILESC1C2CC3C1C3C2OC1C2CC3C(C2)C31
InChIInChI=1S/C14H18O/c1-5-2-8-7(1)11(8)13(5)15-14-6-3-9-10(4-6)12(9)14/h5-14H,1-4H2
InChIKeyXSQRDRJZFZHPQI-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane with MolForge

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Related Compounds

[(1R,3R,6R)-3-tricyclo[2.2.1.02,6]heptanyl] acetate
CID 853444
heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane
CID 59938675
pentacyclo[6.4.0.02,7.03,11.05,10]dodecane
CID 90708847
3-tricyclo[2.2.1.02,6]heptanyl butanoate
CID 45098565
(1R,3R,6R)-tricyclo[2.2.1.02,6]heptan-3-ol
CID 6979104
(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane
CID 102212512
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923
(3R)-tricyclo[2.2.1.02,6]heptan-3-amine
CID 101101886
tetracyclo[5.1.0.02,4.03,5]octane
CID 12871558
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
(2R,5R,11R)-tetracyclo[6.4.1.02,5.011,13]tridecane
CID 59892974
heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane
CID 90855618

Frequently Asked Questions

What is the IUPAC name of 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane?
The IUPAC name of 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane (CID 15498999) is 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane?
The canonical SMILES for 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane is C1C2CC3C1C3C2OC1C2CC3C(C2)C31.
What is the InChIKey of 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane?
The InChIKey is XSQRDRJZFZHPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-5-2-8-7(1)11(8)13(5)15-14-6-3-9-10(4-6)12(9)14/h5-14H,1-4H2.
What are the key properties of 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane?
3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane has a molecular weight of 202.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tricyclo[2.2.1.02,6]heptanyloxy)tricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 15498999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).