(4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione

C11H12O5 — CID 102459630

IUPAC(4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione
SMILESC=C1OC(=O)[C@]2([C@@H]1O)[C@H](O)C(=O)C=C[C@@H]2C
InChIInChI=1S/C11H12O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,8-9,13-14H,2H2,1H3/t5-,8+,9+,11+/m0/s1
InChIKeyMWZYYACVPIJBPD-GUMZWDFQSA-N
MW224.21 g/mol
LogP-0.46
Rot. Bonds

About (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione

(4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione (PubChem CID 102459630) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione.

Molecular Properties

Compound Name(4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione
PubChem CID102459630
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name(4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione
SMILESC=C1OC(=O)[C@]2([C@@H]1O)[C@H](O)C(=O)C=C[C@@H]2C
InChIInChI=1S/C11H12O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,8-9,13-14H,2H2,1H3/t5-,8+,9+,11+/m0/s1
InChIKeyMWZYYACVPIJBPD-GUMZWDFQSA-N
XLogP-0.46
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione?
The IUPAC name of (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione (CID 102459630) is (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione.
What is the SMILES notation for (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione?
The canonical SMILES for (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione is C=C1OC(=O)[C@]2([C@@H]1O)[C@H](O)C(=O)C=C[C@@H]2C.
What is the InChIKey of (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione?
The InChIKey is MWZYYACVPIJBPD-GUMZWDFQSA-N. The full InChI is InChI=1S/C11H12O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,8-9,13-14H,2H2,1H3/t5-,8+,9+,11+/m0/s1.
What are the key properties of (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione?
(4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione has a molecular weight of 224.21 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione is sourced from PubChem (CID 102459630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).