(7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid

C12H18O3 — CID 68772151

IUPAC(7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid
SMILESCC1=C[C@@H](O)CC2(CCCC2)[C@@H]1C(=O)O
InChIInChI=1S/C12H18O3/c1-8-6-9(13)7-12(4-2-3-5-12)10(8)11(14)15/h6,9-10,13H,2-5,7H2,1H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyYZBCHPYZHZEORL-ZJUUUORDSA-N
MW210.27 g/mol
LogP1.96
Rot. Bonds1

About (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid

(7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid (PubChem CID 68772151) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid.

Molecular Properties

Compound Name(7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid
PubChem CID68772151
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid
SMILESCC1=C[C@@H](O)CC2(CCCC2)[C@@H]1C(=O)O
InChIInChI=1S/C12H18O3/c1-8-6-9(13)7-12(4-2-3-5-12)10(8)11(14)15/h6,9-10,13H,2-5,7H2,1H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyYZBCHPYZHZEORL-ZJUUUORDSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid?
The IUPAC name of (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid (CID 68772151) is (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid.
What is the SMILES notation for (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid?
The canonical SMILES for (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid is CC1=C[C@@H](O)CC2(CCCC2)[C@@H]1C(=O)O.
What is the InChIKey of (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid?
The InChIKey is YZBCHPYZHZEORL-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-6-9(13)7-12(4-2-3-5-12)10(8)11(14)15/h6,9-10,13H,2-5,7H2,1H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid?
(7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid has a molecular weight of 210.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10S)-7-hydroxy-9-methylspiro[4.5]dec-8-ene-10-carboxylic acid is sourced from PubChem (CID 68772151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).