3-tricyclo[5.2.1.02,6]decanylmethyl propanoate

C14H22O2 — CID 54381612

IUPAC3-tricyclo[5.2.1.02,6]decanylmethyl propanoate
SMILESCCC(=O)OCC1CCC2C3CCC(C3)C12
InChIInChI=1S/C14H22O2/c1-2-13(15)16-8-11-5-6-12-9-3-4-10(7-9)14(11)12/h9-12,14H,2-8H2,1H3
InChIKeyVAHSRFPDILKKEB-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.01
Rot. Bonds3

About 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate

3-tricyclo[5.2.1.02,6]decanylmethyl propanoate (PubChem CID 54381612) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate.

Molecular Properties

Compound Name3-tricyclo[5.2.1.02,6]decanylmethyl propanoate
PubChem CID54381612
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-tricyclo[5.2.1.02,6]decanylmethyl propanoate
SMILESCCC(=O)OCC1CCC2C3CCC(C3)C12
InChIInChI=1S/C14H22O2/c1-2-13(15)16-8-11-5-6-12-9-3-4-10(7-9)14(11)12/h9-12,14H,2-8H2,1H3
InChIKeyVAHSRFPDILKKEB-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[8-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl propanoate
CID 171754001
3,4-dimethyltricyclo[5.2.1.02,6]decane;methyl propanoate
CID 91003781
azetidin-3-ylmethyl propanoate
CID 89024963
2-(3-tricyclo[5.2.1.02,6]decanyl)acetaldehyde
CID 54255264
[(1S,2S,3S,4R,6R,7S)-3-[3-(aziridin-1-yl)propanoyloxymethyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-(aziridin-1-yl)propanoate
CID 124935016
[(3S)-3-tricyclo[5.2.1.02,6]decanyl] 2-chloroacetate
CID 117070315
[(1S,2R,3R,6S,7S)-3-tricyclo[5.2.1.02,6]decanyl] 2-chloroacetate
CID 125035363
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-dimethylbutanoate
CID 118041802
[2-oxo-2-(3-tricyclo[5.2.1.02,6]decanyloxy)ethyl] 2-hydroxyacetate
CID 66854914
acetic acid;tricyclo[4.4.0.02,8]decan-3-ol
CID 57368471
[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 91104364
(3-hydroxycyclohexyl)methyl propanoate
CID 89020573

Frequently Asked Questions

What is the IUPAC name of 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate?
The IUPAC name of 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate (CID 54381612) is 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate.
What is the SMILES notation for 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate?
The canonical SMILES for 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate is CCC(=O)OCC1CCC2C3CCC(C3)C12.
What is the InChIKey of 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate?
The InChIKey is VAHSRFPDILKKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-13(15)16-8-11-5-6-12-9-3-4-10(7-9)14(11)12/h9-12,14H,2-8H2,1H3.
What are the key properties of 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate?
3-tricyclo[5.2.1.02,6]decanylmethyl propanoate has a molecular weight of 222.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tricyclo[5.2.1.02,6]decanylmethyl propanoate is sourced from PubChem (CID 54381612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).