8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate

C28H50O2 — CID 158067774

IUPAC8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
SMILESCCCC1CC(C)C2C3CC(CC)C(C3)C12.CCCC1CC(C)CC1(C)C(=O)OC
InChIInChI=1S/C16H28.C12H22O2/c1-4-6-12-7-10(3)15-13-8-11(5-2)14(9-13)16(12)15;1-5-6-10-7-9(2)8-12(10,3)11(13)14-4/h10-16H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3
InChIKeyFLLGQBDZQHBBFN-UHFFFAOYSA-N
MW418.71 g/mol
LogP7.75
Rot. Bonds6

About 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate

8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate (PubChem CID 158067774) has the molecular formula C28H50O2 and a molecular weight of 418.71 g/mol. Its IUPAC name is 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
PubChem CID158067774
Molecular FormulaC28H50O2
Molecular Weight418.71 g/mol
Exact Mass418.38
IUPAC Name8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
SMILESCCCC1CC(C)C2C3CC(CC)C(C3)C12.CCCC1CC(C)CC1(C)C(=O)OC
InChIInChI=1S/C16H28.C12H22O2/c1-4-6-12-7-10(3)15-13-8-11(5-2)14(9-13)16(12)15;1-5-6-10-7-9(2)8-12(10,3)11(13)14-4/h10-16H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3
InChIKeyFLLGQBDZQHBBFN-UHFFFAOYSA-N
XLogP7.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.71
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate;9-methyl-11-propyl-4-oxatetracyclo[5.5.1.02,6.08,12]tridecane-3,5-dione
CID 159286573
4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 160560583
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(4-methyl-2-propylcyclopentyl)methyl]propan-2-yl] carbonate;tert-butyl [1,1,1,3,3,3-hexafluoro-2-[(3-methyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methyl]propan-2-yl] carbonate
CID 158262905
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213
3,5-dimethyl-8-propyltricyclo[5.2.1.02,6]decane;ethoxyethane;prop-1-ene
CID 142377230
3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
CID 20622006
(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol
CID 20661456
(5-ethyl-3-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanediol
CID 70999175
3-ethyl-5,8-dimethyltricyclo[5.2.1.02,6]decane
CID 59392103
3,4-dimethyloxolane-2,5-dione;bis(methyl 3,8,9-trimethyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylate);bis(3,8,8,9,9-pentamethyl-5-propyltricyclo[5.2.1.02,6]decane)
CID 158592566
methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate
CID 156801086

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate?
The IUPAC name of 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate (CID 158067774) is 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate.
What is the SMILES notation for 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate?
The canonical SMILES for 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate is CCCC1CC(C)C2C3CC(CC)C(C3)C12.CCCC1CC(C)CC1(C)C(=O)OC.
What is the InChIKey of 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate?
The InChIKey is FLLGQBDZQHBBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28.C12H22O2/c1-4-6-12-7-10(3)15-13-8-11(5-2)14(9-13)16(12)15;1-5-6-10-7-9(2)8-12(10,3)11(13)14-4/h10-16H,4-9H2,1-3H3;9-10H,5-8H2,1-4H3.
What are the key properties of 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate?
8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate has a molecular weight of 418.71 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate is sourced from PubChem (CID 158067774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).