2-(10-bicyclo[4.3.1]decanyl)acetic acid

C12H20O2 — CID 115020771

IUPAC2-(10-bicyclo[4.3.1]decanyl)acetic acid
SMILESO=C(O)CC1C2CCCCC1CCC2
InChIInChI=1S/C12H20O2/c13-12(14)8-11-9-4-1-2-5-10(11)7-3-6-9/h9-11H,1-8H2,(H,13,14)
InChIKeyBWPOMIWQBXIYNZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds2

About 2-(10-bicyclo[4.3.1]decanyl)acetic acid

2-(10-bicyclo[4.3.1]decanyl)acetic acid (PubChem CID 115020771) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(10-bicyclo[4.3.1]decanyl)acetic acid.

Molecular Properties

Compound Name2-(10-bicyclo[4.3.1]decanyl)acetic acid
PubChem CID115020771
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(10-bicyclo[4.3.1]decanyl)acetic acid
SMILESO=C(O)CC1C2CCCCC1CCC2
InChIInChI=1S/C12H20O2/c13-12(14)8-11-9-4-1-2-5-10(11)7-3-6-9/h9-11H,1-8H2,(H,13,14)
InChIKeyBWPOMIWQBXIYNZ-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(10-bicyclo[4.3.1]decanyl)acetic acid?
The IUPAC name of 2-(10-bicyclo[4.3.1]decanyl)acetic acid (CID 115020771) is 2-(10-bicyclo[4.3.1]decanyl)acetic acid.
What is the SMILES notation for 2-(10-bicyclo[4.3.1]decanyl)acetic acid?
The canonical SMILES for 2-(10-bicyclo[4.3.1]decanyl)acetic acid is O=C(O)CC1C2CCCCC1CCC2.
What is the InChIKey of 2-(10-bicyclo[4.3.1]decanyl)acetic acid?
The InChIKey is BWPOMIWQBXIYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(14)8-11-9-4-1-2-5-10(11)7-3-6-9/h9-11H,1-8H2,(H,13,14).
What are the key properties of 2-(10-bicyclo[4.3.1]decanyl)acetic acid?
2-(10-bicyclo[4.3.1]decanyl)acetic acid has a molecular weight of 196.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-bicyclo[4.3.1]decanyl)acetic acid is sourced from PubChem (CID 115020771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).