4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid

C25H42O4 — CID 160560583

IUPAC4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid
SMILESCCCC1CC(C)C2C3CC(C(=O)O)C(C3)C12.CCCC1CC(C)CC1C(=O)O
InChIInChI=1S/C15H24O2.C10H18O2/c1-3-4-9-5-8(2)13-10-6-11(14(9)13)12(7-10)15(16)17;1-3-4-8-5-7(2)6-9(8)10(11)12/h8-14H,3-7H2,1-2H3,(H,16,17);7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyQZGDZIVZWOKCJS-UHFFFAOYSA-N
MW406.61 g/mol
LogP5.95
Rot. Bonds6

About 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid

4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid (PubChem CID 160560583) has the molecular formula C25H42O4 and a molecular weight of 406.61 g/mol. Its IUPAC name is 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid
PubChem CID160560583
Molecular FormulaC25H42O4
Molecular Weight406.61 g/mol
Exact Mass406.31
IUPAC Name4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid
SMILESCCCC1CC(C)C2C3CC(C(=O)O)C(C3)C12.CCCC1CC(C)CC1C(=O)O
InChIInChI=1S/C15H24O2.C10H18O2/c1-3-4-9-5-8(2)13-10-6-11(14(9)13)12(7-10)15(16)17;1-3-4-8-5-7(2)6-9(8)10(11)12/h8-14H,3-7H2,1-2H3,(H,16,17);7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyQZGDZIVZWOKCJS-UHFFFAOYSA-N
XLogP5.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8,9-dicarboxylic acid
CID 20622006
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
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
8-ethyl-3-methyl-5-propyltricyclo[5.2.1.02,6]decane;methyl 1,4-dimethyl-2-propylcyclopentane-1-carboxylate
CID 158067774
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213
9-methoxycarbonyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
CID 139970844
2,6-dimethyl-4-propylbicyclo[3.1.0]hexane
CID 123147574
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855
(3,8-dimethyl-5-propyl-8-tricyclo[5.2.1.02,6]decanyl)methanol
CID 20661456
2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 139838186
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid?
The IUPAC name of 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid (CID 160560583) is 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid.
What is the SMILES notation for 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid?
The canonical SMILES for 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid is CCCC1CC(C)C2C3CC(C(=O)O)C(C3)C12.CCCC1CC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid?
The InChIKey is QZGDZIVZWOKCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.C10H18O2/c1-3-4-9-5-8(2)13-10-6-11(14(9)13)12(7-10)15(16)17;1-3-4-8-5-7(2)6-9(8)10(11)12/h8-14H,3-7H2,1-2H3,(H,16,17);7-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid?
4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid has a molecular weight of 406.61 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propylcyclopentane-1-carboxylic acid;3-methyl-5-propyltricyclo[5.2.1.02,6]decane-8-carboxylic acid is sourced from PubChem (CID 160560583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).