2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid

C16H24O2 — CID 122451932

IUPAC2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
SMILESCC1C(C)C2CC1C1C3CC(CC(=O)O)C(C3)C21
InChIInChI=1S/C16H24O2/c1-7-8(2)12-6-11(7)15-10-3-9(5-14(17)18)13(4-10)16(12)15/h7-13,15-16H,3-6H2,1-2H3,(H,17,18)
InChIKeyTXVZHNBCDGEYAY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.27
Rot. Bonds2

About 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid

2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid (PubChem CID 122451932) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid.

Molecular Properties

Compound Name2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
PubChem CID122451932
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
SMILESCC1C(C)C2CC1C1C3CC(CC(=O)O)C(C3)C21
InChIInChI=1S/C16H24O2/c1-7-8(2)12-6-11(7)15-10-3-9(5-14(17)18)13(4-10)16(12)15/h7-13,15-16H,3-6H2,1-2H3,(H,17,18)
InChIKeyTXVZHNBCDGEYAY-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid?
The IUPAC name of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid (CID 122451932) is 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid.
What is the SMILES notation for 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid?
The canonical SMILES for 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid is CC1C(C)C2CC1C1C3CC(CC(=O)O)C(C3)C21.
What is the InChIKey of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid?
The InChIKey is TXVZHNBCDGEYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-7-8(2)12-6-11(7)15-10-3-9(5-14(17)18)13(4-10)16(12)15/h7-13,15-16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid?
2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid has a molecular weight of 248.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid is sourced from PubChem (CID 122451932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).