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

C8H12O3 — CID 97303686

IUPAC(7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol
SMILESO[C@@H]1C=CCC2(C1)OCCO2
InChIInChI=1S/C8H12O3/c9-7-2-1-3-8(6-7)10-4-5-11-8/h1-2,7,9H,3-6H2/t7-/m1/s1
InChIKeyMZBDIIDSMSISQZ-SSDOTTSWSA-N
MW156.18 g/mol
LogP0.44
Rot. Bonds

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

(7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol (PubChem CID 97303686) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol.

Molecular Properties

Compound Name(7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol
PubChem CID97303686
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol
SMILESO[C@@H]1C=CCC2(C1)OCCO2
InChIInChI=1S/C8H12O3/c9-7-2-1-3-8(6-7)10-4-5-11-8/h1-2,7,9H,3-6H2/t7-/m1/s1
InChIKeyMZBDIIDSMSISQZ-SSDOTTSWSA-N
XLogP0.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 44238498
(3aS,4R,5S,7aR)-5-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 10608081
(3aS,4R,5R,7aR)-2,2-Dimethyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxole-4,5-diol
CID 10679109
(3aS,4R,5S,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
CID 10997742
(Z)-4-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(2-methyl-1,3-dioxolan-2-yl)but-3-en-2-ol
CID 5469853
(3aS,4S,5S,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 21626178
(3aS,4R,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 11008348
(E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 22959671
(E)-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]prop-2-en-1-ol
CID 10488185
(3aR,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 10630978
(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-ol
CID 11378630

Frequently Asked Questions

What is the IUPAC name of (7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
The IUPAC name of (7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol (CID 97303686) is (7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol.
What is the SMILES notation for (7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
The canonical SMILES for (7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol is O[C@@H]1C=CCC2(C1)OCCO2.
What is the InChIKey of (7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
The InChIKey is MZBDIIDSMSISQZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O3/c9-7-2-1-3-8(6-7)10-4-5-11-8/h1-2,7,9H,3-6H2/t7-/m1/s1.
What are the key properties of (7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol?
(7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol has a molecular weight of 156.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol is sourced from PubChem (CID 97303686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).