methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate

C17H28O3 — CID 20661465

IUPACmethoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCCC1CC(C)C2C3CC(C(=O)OCOC)C(C3)C12
InChIInChI=1S/C17H28O3/c1-4-5-11-6-10(2)15-12-7-13(16(11)15)14(8-12)17(18)20-9-19-3/h10-16H,4-9H2,1-3H3
InChIKeyPDIQAPQMFNRQBW-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.48
Rot. Bonds5

About methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate

methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 20661465) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Namemethoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID20661465
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Namemethoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCCC1CC(C)C2C3CC(C(=O)OCOC)C(C3)C12
InChIInChI=1S/C17H28O3/c1-4-5-11-6-10(2)15-12-7-13(16(11)15)14(8-12)17(18)20-9-19-3/h10-16H,4-9H2,1-3H3
InChIKeyPDIQAPQMFNRQBW-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.48
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-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester
CID 14833045
Ethyl (1R,2R,6R,7S)-tricyclo[5.2.1.02,6]decane-2-carboxylate
CID 157342
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
CID 157343
4,7-Methano-1H-indene-2-carboxylic acid, octahydro-, ethyl ester
CID 109169
4,7-Methano-1H-indene-5-carboxylic acid, octahydro-, ethyl ester
CID 109171
ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate
CID 127024437
4,7-Methano-1H-indene-1-carboxylic acid, octahydro-, ethyl ester
CID 112136
4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester
CID 109136
Methyl 8-fluorotricyclo[5.2.1.02,6]decane-8-carboxylate
CID 57959335
methyl (1R,4R)-5-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 139211791
(Octahydro-4,7-methano-1H-inden-5-yl)methyl 2-ethylhexanoate
CID 44149086
Dimethyl octahydro-4,7-methano-1H-indene-5,-dicarboxylate
CID 44152216

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate (CID 20661465) is methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate is CCCC1CC(C)C2C3CC(C(=O)OCOC)C(C3)C12.
What is the InChIKey of methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is PDIQAPQMFNRQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-4-5-11-6-10(2)15-12-7-13(16(11)15)14(8-12)17(18)20-9-19-3/h10-16H,4-9H2,1-3H3.
What are the key properties of methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate?
methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 280.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 20661465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).