(2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde

C15H22O6 — CID 102409905

IUPAC(2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde
SMILESCO[C@H]1CC[C@]2(C=C[C@H](C)[C@@H](CC=O)O2)O[C@@H]1[C@@H](O)C=O
InChIInChI=1S/C15H22O6/c1-10-3-6-15(20-12(10)5-8-16)7-4-13(19-2)14(21-15)11(18)9-17/h3,6,8-14,18H,4-5,7H2,1-2H3/t10-,11-,12+,13-,14+,15-/m0/s1
InChIKeyJOXRJLBDWSAEDJ-UJOWSUJOSA-N
MW298.34 g/mol
LogP0.62
Rot. Bonds5

About (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde

(2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde (PubChem CID 102409905) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde
PubChem CID102409905
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name(2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde
SMILESCO[C@H]1CC[C@]2(C=C[C@H](C)[C@@H](CC=O)O2)O[C@@H]1[C@@H](O)C=O
InChIInChI=1S/C15H22O6/c1-10-3-6-15(20-12(10)5-8-16)7-4-13(19-2)14(21-15)11(18)9-17/h3,6,8-14,18H,4-5,7H2,1-2H3/t10-,11-,12+,13-,14+,15-/m0/s1
InChIKeyJOXRJLBDWSAEDJ-UJOWSUJOSA-N
XLogP0.62
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5R,7R,9R,10S,11R,15S)-9-[(3S,4S,5R)-5-[(2S,3S,6R,8R,9S)-8-[(2R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(2S,6R)-6-(2-hydroxyethyl)oxan-2-yl]pentyl]-3-methoxy-9-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-3-methyl-4,5-bis(triethylsilyloxy)pentyl]-10-chloro-3-(2-hydroxybut-3-enyl)-11-methoxy-15-methyl-4,6,8-trioxadispiro[4.1.57.35]pentadecan-2-ol
CID 57380567
2-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)acetaldehyde
CID 130035928
(4Z,7E)-9-[(1R,3S,4S,8R,12S,14S,16S,18R,19S,22R,25S,26R,27S,28S,29S,32R,33S,34R,36R,39S)-33-chloro-14,16,27,28-tetrahydroxy-25,34-dimethoxy-19,29,39-trimethyl-6-oxo-2,5,40,41,42,43,44-heptaoxaheptacyclo[34.3.1.11,4.18,12.118,22.122,26.132,36]pentatetracont-20-en-3-yl]-2-hydroxynona-4,7-dienoic acid
CID 102072967
2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 70675864
[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] formate
CID 22169531
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073
CID 172623358
CID 172623358
(8R)-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10487077
2-(2-methoxycyclohexyl)-2-methyl-3-(3-methylbut-2-enyl)oxirane
CID 126591301
(1R,7S,10S,12R,14R,18R,19R,28S,31R)-18-(3-amino-2-hydroxypropyl)-19,33-dimethoxy-12-methyl-6,13-dimethylidene-17,35,36,37,38,39,40-heptaoxaoctacyclo[27.5.1.11,32.14,7.110,14.124,28.127,31.016,20]tetracontan-22-one
CID 89489136
[(2S,4S,6R)-6-[(2E,5S,6E,8E)-8-[(3aS,4R,7R)-4-acetyl-3a,7-dihydroxy-6-methyl-7,7a-dihydro-4H-1-benzofuran-3-ylidene]-1-[(2R,3S,6S,8S)-2-butan-2-yl-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-3,5-dimethylocta-2,6-dien-4-yl]-4-methoxy-2-methyloxan-3-yl] N-(3-methylbut-1-en-2-yl)sulfamate
CID 89336050
2-hydroxy-3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)propanal
CID 130035759

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde?
The IUPAC name of (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde (CID 102409905) is (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde.
What is the SMILES notation for (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde?
The canonical SMILES for (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde is CO[C@H]1CC[C@]2(C=C[C@H](C)[C@@H](CC=O)O2)O[C@@H]1[C@@H](O)C=O.
What is the InChIKey of (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde?
The InChIKey is JOXRJLBDWSAEDJ-UJOWSUJOSA-N. The full InChI is InChI=1S/C15H22O6/c1-10-3-6-15(20-12(10)5-8-16)7-4-13(19-2)14(21-15)11(18)9-17/h3,6,8-14,18H,4-5,7H2,1-2H3/t10-,11-,12+,13-,14+,15-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde?
(2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde has a molecular weight of 298.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(2R,3S,6R,8R,9S)-3-methoxy-9-methyl-8-(2-oxoethyl)-1,7-dioxaspiro[5.5]undec-10-en-2-yl]acetaldehyde is sourced from PubChem (CID 102409905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).