(5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde

C12H16O3 — CID 135037181

IUPAC(5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde
SMILESC[C@@H]1C=CCC(O)(C=O)[C@@]12CCCC2=O
InChIInChI=1S/C12H16O3/c1-9-4-2-6-11(15,8-13)12(9)7-3-5-10(12)14/h2,4,8-9,15H,3,5-7H2,1H3/t9-,11?,12+/m1/s1
InChIKeySZYFLIQEZPWGBQ-DGHCKJRHSA-N
MW208.26 g/mol
LogP1.25
Rot. Bonds1

About (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde

(5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde (PubChem CID 135037181) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde.

Molecular Properties

Compound Name(5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde
PubChem CID135037181
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde
SMILESC[C@@H]1C=CCC(O)(C=O)[C@@]12CCCC2=O
InChIInChI=1S/C12H16O3/c1-9-4-2-6-11(15,8-13)12(9)7-3-5-10(12)14/h2,4,8-9,15H,3,5-7H2,1H3/t9-,11?,12+/m1/s1
InChIKeySZYFLIQEZPWGBQ-DGHCKJRHSA-N
XLogP1.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 131857457
2,3,3-trihydroxy-2-methylcyclohexan-1-one
CID 67931536
(4aS,5S,6S,8aR)-4a,6-dihydroxy-8a-methyl-5-nitro-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 101247533
3a,7a-dihydroxy-1,2,3,5,6,7-hexahydroindol-4-one
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(1R,3aR,8R,8aR)-8-hydroxy-1,3a-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one
CID 125113731
10-ethenyl-10-hydroxyspiro[4.5]decan-6-one
CID 155931172
methyl 1-(1-chloroethyl)-2-oxocyclopentane-1-carboxylate
CID 174604024
2-methyl-2-(4-methylcyclohex-2-en-1-yl)cyclopentan-1-one
CID 24976789
2,3-dihydroxy-3-methylcyclohexan-1-one
CID 85393180
2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
CID 86092713

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde?
The IUPAC name of (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde (CID 135037181) is (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde.
What is the SMILES notation for (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde?
The canonical SMILES for (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde is C[C@@H]1C=CCC(O)(C=O)[C@@]12CCCC2=O.
What is the InChIKey of (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde?
The InChIKey is SZYFLIQEZPWGBQ-DGHCKJRHSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-4-2-6-11(15,8-13)12(9)7-3-5-10(12)14/h2,4,8-9,15H,3,5-7H2,1H3/t9-,11?,12+/m1/s1.
What are the key properties of (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde?
(5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-10-hydroxy-6-methyl-4-oxospiro[4.5]dec-7-ene-10-carbaldehyde is sourced from PubChem (CID 135037181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).