4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid

C16H24O2 — CID 20661446

IUPAC4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C)(C(=O)O)C3
InChIInChI=1S/C16H24O2/c1-7-8(2)11-5-10(7)13-9-4-12(14(11)13)16(3,6-9)15(17)18/h7-14H,4-6H2,1-3H3,(H,17,18)
InChIKeyQCVGTZYBUYGJKP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.27
Rot. Bonds1

About 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid

4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid (PubChem CID 20661446) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid.

Molecular Properties

Compound Name4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
PubChem CID20661446
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
SMILESCC1C(C)C2CC1C1C3CC(C21)C(C)(C(=O)O)C3
InChIInChI=1S/C16H24O2/c1-7-8(2)11-5-10(7)13-9-4-12(14(11)13)16(3,6-9)15(17)18/h7-14H,4-6H2,1-3H3,(H,17,18)
InChIKeyQCVGTZYBUYGJKP-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-11-thiatetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 20686337
10-methyl-10-prop-2-enoyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
CID 143707574
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane
CID 160997300
trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid
CID 178190756
1-ethoxyethyl 9,10-dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 59203947
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
acetaldehyde;methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 144931340
(1S,2S,3R,4S,5S)-2-amino-4,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 39345675
2-amino-4,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 53396788
trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 92980128
1,2-dimethylcyclobutane-1,3-dicarboxylic acid
CID 155059571

Frequently Asked Questions

What is the IUPAC name of 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid?
The IUPAC name of 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid (CID 20661446) is 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid.
What is the SMILES notation for 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid?
The canonical SMILES for 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid is CC1C(C)C2CC1C1C3CC(C21)C(C)(C(=O)O)C3.
What is the InChIKey of 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid?
The InChIKey is QCVGTZYBUYGJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-7-8(2)11-5-10(7)13-9-4-12(14(11)13)16(3,6-9)15(17)18/h7-14H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid?
4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid has a molecular weight of 248.37 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid is sourced from PubChem (CID 20661446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).