8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate

C13H20O3 — CID 58944299

IUPAC8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate
SMILESCC(=O)OCOC1CC2CC1C1CCCC21
InChIInChI=1S/C13H20O3/c1-8(14)15-7-16-13-6-9-5-12(13)11-4-2-3-10(9)11/h9-13H,2-7H2,1H3
InChIKeyFWANLEXDYCWTIW-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.35
Rot. Bonds3

About 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate

8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate (PubChem CID 58944299) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate
PubChem CID58944299
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate
SMILESCC(=O)OCOC1CC2CC1C1CCCC21
InChIInChI=1S/C13H20O3/c1-8(14)15-7-16-13-6-9-5-12(13)11-4-2-3-10(9)11/h9-13H,2-7H2,1H3
InChIKeyFWANLEXDYCWTIW-UHFFFAOYSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,7-Methano-1H-inden-5-ol, octahydro-, 5-acetate
CID 85724
Tricyclo(5.2.1.02,6)dec-8-YL formate
CID 257735
Octahydro-4,7-methano-1H-indenyl acetate
CID 44147412
Octahydro-4,7-methano-1H-inden-5-yl isobutyrate
CID 56842823
8-Tricyclo[5.2.1.02,6]decanyl 2,2-difluoroacetate
CID 58225878
8-Tricyclo[5.2.1.02,6]decanyl 2,2-difluoropropanoate
CID 59602353
8-Tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate
CID 138699160
8-Tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylpropanoate
CID 138699160
8-Tricyclo[5.2.1.02,6]decanyl 2-fluoro-2-methylbutanoate
CID 145553834
8-Tricyclo[5.2.1.02,6]decanyl 2,2-dimethylpropanoate
CID 126760740
Tricyclo[5,2,1,0 2,6]dec-3,8-diyl diacetate
CID 102182579
Tricyclo[5,2,1,0 2,6]dec-3,8-diyl diacetate
CID 102182579

Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate (CID 58944299) is 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate is CC(=O)OCOC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate?
The InChIKey is FWANLEXDYCWTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-8(14)15-7-16-13-6-9-5-12(13)11-4-2-3-10(9)11/h9-13H,2-7H2,1H3.
What are the key properties of 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate?
8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate has a molecular weight of 224.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]decanyloxymethyl acetate is sourced from PubChem (CID 58944299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).