[(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol

C12H20O3 — CID 10536514

IUPAC[(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol
SMILESOC/C1=C/CCCCCC2(C1)OCCO2
InChIInChI=1S/C12H20O3/c13-10-11-5-3-1-2-4-6-12(9-11)14-7-8-15-12/h5,13H,1-4,6-10H2/b11-5+
InChIKeyJGMYDQWBCACNSY-VZUCSPMQSA-N
MW212.29 g/mol
LogP2.00
Rot. Bonds1

About [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol

[(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol (PubChem CID 10536514) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol.

Molecular Properties

Compound Name[(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol
PubChem CID10536514
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name[(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol
SMILESOC/C1=C/CCCCCC2(C1)OCCO2
InChIInChI=1S/C12H20O3/c13-10-11-5-3-1-2-4-6-12(9-11)14-7-8-15-12/h5,13H,1-4,6-10H2/b11-5+
InChIKeyJGMYDQWBCACNSY-VZUCSPMQSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.00
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

Ethanol, 2-(1,4-dioxaspiro[4.5]dec-8-ylidene)-
CID 10976162
(3aR,4R,7S,7aS)-2,2,5-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 139125704
(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
CID 10845642
3-(2-Methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
CID 10954213
(8-Methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol
CID 14377557
1,4-Dioxaspiro[4.5]dec-7-en-8-ylmethanol
CID 10964938
1,4-Dioxaspiro[4.5]dec-7-en-7-ylmethanol
CID 14261605
1,4-Dioxaspiro[4.5]dec-6-en-7-ylmethanol
CID 15004480
(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-2-en-1-ol
CID 54200969
(3aS,4S,7aR)-2,2-diethyl-6-methyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 58047972
(E)-4-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 70643245

Frequently Asked Questions

What is the IUPAC name of [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol?
The IUPAC name of [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol (CID 10536514) is [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol.
What is the SMILES notation for [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol?
The canonical SMILES for [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol is OC/C1=C/CCCCCC2(C1)OCCO2.
What is the InChIKey of [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol?
The InChIKey is JGMYDQWBCACNSY-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H20O3/c13-10-11-5-3-1-2-4-6-12(9-11)14-7-8-15-12/h5,13H,1-4,6-10H2/b11-5+.
What are the key properties of [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol?
[(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol has a molecular weight of 212.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7E)-1,4-dioxaspiro[4.8]tridec-7-en-7-yl]methanol is sourced from PubChem (CID 10536514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).