(9S)-spiro[4.5]decane-9-carboxylic acid

C11H18O2 — CID 67991694

IUPAC(9S)-spiro[4.5]decane-9-carboxylic acid
SMILESO=C(O)[C@H]1CCCC2(CCCC2)C1
InChIInChI=1S/C11H18O2/c12-10(13)9-4-3-7-11(8-9)5-1-2-6-11/h9H,1-8H2,(H,12,13)/t9-/m0/s1
InChIKeyVMKJDUXFXOUBCH-VIFPVBQESA-N
MW182.26 g/mol
LogP2.82
Rot. Bonds1

About (9S)-spiro[4.5]decane-9-carboxylic acid

(9S)-spiro[4.5]decane-9-carboxylic acid (PubChem CID 67991694) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (9S)-spiro[4.5]decane-9-carboxylic acid.

Molecular Properties

Compound Name(9S)-spiro[4.5]decane-9-carboxylic acid
PubChem CID67991694
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(9S)-spiro[4.5]decane-9-carboxylic acid
SMILESO=C(O)[C@H]1CCCC2(CCCC2)C1
InChIInChI=1S/C11H18O2/c12-10(13)9-4-3-7-11(8-9)5-1-2-6-11/h9H,1-8H2,(H,12,13)/t9-/m0/s1
InChIKeyVMKJDUXFXOUBCH-VIFPVBQESA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[4.5]decane-3-carboxylic acid
CID 13443385
1-azaspiro[2.5]octane-5-carboxylic acid
CID 89350897
3-amino-3-methylcyclohexane-1-carboxylic acid
CID 76540994
[(1S,3S)-1,3-dicarboxycyclohexyl]azanium
CID 23238239
(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 96850483
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
cyclopentanecarboxylic acid
CID 18840
2-spiro[4.5]decan-9-ylacetic acid
CID 150402729
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
3-(2-azaspiro[3.5]nonan-2-yl)cyclohexane-1-carboxylic acid
CID 79694969
cyclohexanecarboxylic acid
CID 11286469
cyclotetracosanecarboxylic acid
CID 176986816

Frequently Asked Questions

What is the IUPAC name of (9S)-spiro[4.5]decane-9-carboxylic acid?
The IUPAC name of (9S)-spiro[4.5]decane-9-carboxylic acid (CID 67991694) is (9S)-spiro[4.5]decane-9-carboxylic acid.
What is the SMILES notation for (9S)-spiro[4.5]decane-9-carboxylic acid?
The canonical SMILES for (9S)-spiro[4.5]decane-9-carboxylic acid is O=C(O)[C@H]1CCCC2(CCCC2)C1.
What is the InChIKey of (9S)-spiro[4.5]decane-9-carboxylic acid?
The InChIKey is VMKJDUXFXOUBCH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O2/c12-10(13)9-4-3-7-11(8-9)5-1-2-6-11/h9H,1-8H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (9S)-spiro[4.5]decane-9-carboxylic acid?
(9S)-spiro[4.5]decane-9-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-spiro[4.5]decane-9-carboxylic acid is sourced from PubChem (CID 67991694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).