1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate

C16H26O4 — CID 58944311

IUPAC1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate
SMILESCC(OCC1CC2CC1C1CCCC21)OC(=O)C(C)O
InChIInChI=1S/C16H26O4/c1-9(17)16(18)20-10(2)19-8-12-6-11-7-15(12)14-5-3-4-13(11)14/h9-15,17H,3-8H2,1-2H3
InChIKeyZMEDXGZCELJJID-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.35
Rot. Bonds5

About 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate

1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate (PubChem CID 58944311) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate
PubChem CID58944311
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate
SMILESCC(OCC1CC2CC1C1CCCC21)OC(=O)C(C)O
InChIInChI=1S/C16H26O4/c1-9(17)16(18)20-10(2)19-8-12-6-11-7-15(12)14-5-3-4-13(11)14/h9-15,17H,3-8H2,1-2H3
InChIKeyZMEDXGZCELJJID-UHFFFAOYSA-N
XLogP2.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate?
The IUPAC name of 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate (CID 58944311) is 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate.
What is the SMILES notation for 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate?
The canonical SMILES for 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate is CC(OCC1CC2CC1C1CCCC21)OC(=O)C(C)O.
What is the InChIKey of 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate?
The InChIKey is ZMEDXGZCELJJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-9(17)16(18)20-10(2)19-8-12-6-11-7-15(12)14-5-3-4-13(11)14/h9-15,17H,3-8H2,1-2H3.
What are the key properties of 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate?
1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate has a molecular weight of 282.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate is sourced from PubChem (CID 58944311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).