2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid

C14H24O2 — CID 166943694

IUPAC2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid
SMILESCCC1CC2CC(C1)CC(C)(CC(=O)O)C2
InChIInChI=1S/C14H24O2/c1-3-10-4-11-6-12(5-10)8-14(2,7-11)9-13(15)16/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyLLRVDNACFBTIEU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.70
Rot. Bonds3

About 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid

2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid (PubChem CID 166943694) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid.

Molecular Properties

Compound Name2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid
PubChem CID166943694
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid
SMILESCCC1CC2CC(C1)CC(C)(CC(=O)O)C2
InChIInChI=1S/C14H24O2/c1-3-10-4-11-6-12(5-10)8-14(2,7-11)9-13(15)16/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyLLRVDNACFBTIEU-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid?
The IUPAC name of 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid (CID 166943694) is 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid.
What is the SMILES notation for 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid?
The canonical SMILES for 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid is CCC1CC2CC(C1)CC(C)(CC(=O)O)C2.
What is the InChIKey of 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid?
The InChIKey is LLRVDNACFBTIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-10-4-11-6-12(5-10)8-14(2,7-11)9-13(15)16/h10-12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid?
2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid has a molecular weight of 224.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-3-methyl-3-bicyclo[3.3.1]nonanyl)acetic acid is sourced from PubChem (CID 166943694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).