dispiro[3.1.36.14]decane-8-carboxylic acid

C11H16O2 — CID 91812220

IUPACdispiro[3.1.36.14]decane-8-carboxylic acid
SMILESO=C(O)C1CC2(C1)CC1(CCC1)C2
InChIInChI=1S/C11H16O2/c12-9(13)8-4-11(5-8)6-10(7-11)2-1-3-10/h8H,1-7H2,(H,12,13)
InChIKeyCVKCBSAWXUGYTK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.43
Rot. Bonds1

About dispiro[3.1.36.14]decane-8-carboxylic acid

dispiro[3.1.36.14]decane-8-carboxylic acid (PubChem CID 91812220) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is dispiro[3.1.36.14]decane-8-carboxylic acid.

Molecular Properties

Compound Namedispiro[3.1.36.14]decane-8-carboxylic acid
PubChem CID91812220
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namedispiro[3.1.36.14]decane-8-carboxylic acid
SMILESO=C(O)C1CC2(C1)CC1(CCC1)C2
InChIInChI=1S/C11H16O2/c12-9(13)8-4-11(5-8)6-10(7-11)2-1-3-10/h8H,1-7H2,(H,12,13)
InChIKeyCVKCBSAWXUGYTK-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dispiro[3.1.36.14]decane-8-carboxylic acid?
The IUPAC name of dispiro[3.1.36.14]decane-8-carboxylic acid (CID 91812220) is dispiro[3.1.36.14]decane-8-carboxylic acid.
What is the SMILES notation for dispiro[3.1.36.14]decane-8-carboxylic acid?
The canonical SMILES for dispiro[3.1.36.14]decane-8-carboxylic acid is O=C(O)C1CC2(C1)CC1(CCC1)C2.
What is the InChIKey of dispiro[3.1.36.14]decane-8-carboxylic acid?
The InChIKey is CVKCBSAWXUGYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-9(13)8-4-11(5-8)6-10(7-11)2-1-3-10/h8H,1-7H2,(H,12,13).
What are the key properties of dispiro[3.1.36.14]decane-8-carboxylic acid?
dispiro[3.1.36.14]decane-8-carboxylic acid has a molecular weight of 180.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dispiro[3.1.36.14]decane-8-carboxylic acid is sourced from PubChem (CID 91812220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).