8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol

C12H20O5 — CID 132513330

IUPAC8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol
SMILESCOC(CC1=CCC2(CC1O)OCCO2)OC
InChIInChI=1S/C12H20O5/c1-14-11(15-2)7-9-3-4-12(8-10(9)13)16-5-6-17-12/h3,10-11,13H,4-8H2,1-2H3
InChIKeyUJBHNUXQBSUMTB-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.82
Rot. Bonds4

About 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol

8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol (PubChem CID 132513330) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol.

Molecular Properties

Compound Name8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol
PubChem CID132513330
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol
SMILESCOC(CC1=CCC2(CC1O)OCCO2)OC
InChIInChI=1S/C12H20O5/c1-14-11(15-2)7-9-3-4-12(8-10(9)13)16-5-6-17-12/h3,10-11,13H,4-8H2,1-2H3
InChIKeyUJBHNUXQBSUMTB-UHFFFAOYSA-N
XLogP0.82
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 53305121
(3aS,4R,5R,7aR)-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
CID 11063444
(3aS,4R,5S,7aR)-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
CID 134845908
(2S,3R)-6-(hydroxymethyl)-2-octoxy-3,4-dihydro-2H-pyran-3,4,5-triol
CID 656976
(2R,3R,4R)-6-(hydroxymethyl)-2-octoxy-3,4-dihydro-2H-pyran-3,4,5-triol
CID 4369597
(2R,3R)-6-(hydroxymethyl)-2-octoxy-3,4-dihydro-2H-pyran-3,4,5-triol
CID 45281244
(E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol
CID 11558486
(2R,3aS,5R,6R,7aS)-5-[(E,2S)-2-hydroxypent-3-enyl]-2-methoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6-ol
CID 14558246
(1R,4S)-2-[2-(1,3-dioxolan-2-yl)ethyl]cyclohex-2-ene-1,4-diol
CID 56654609
(Z,1R,5R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-3-ene-1,5-diol
CID 101750132
rac-(3aS,4R,5R,7aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole-4,5-diol
CID 121233016
(2z,5s,7s)-7-(Methoxymethoxy)-3-methyldec-2-ene-1,5-diol
CID 129748261

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
The IUPAC name of 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol (CID 132513330) is 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol.
What is the SMILES notation for 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
The canonical SMILES for 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol is COC(CC1=CCC2(CC1O)OCCO2)OC.
What is the InChIKey of 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
The InChIKey is UJBHNUXQBSUMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-14-11(15-2)7-9-3-4-12(8-10(9)13)16-5-6-17-12/h3,10-11,13H,4-8H2,1-2H3.
What are the key properties of 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol has a molecular weight of 244.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethoxyethyl)-1,4-dioxaspiro[4.5]dec-8-en-7-ol is sourced from PubChem (CID 132513330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).