[(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol

C11H18O3 — CID 10535957

IUPAC[(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol
SMILESOC/C1=C/CCCCC2(C1)OCCO2
InChIInChI=1S/C11H18O3/c12-9-10-4-2-1-3-5-11(8-10)13-6-7-14-11/h4,12H,1-3,5-9H2/b10-4+
InChIKeyYCIAGRNGGQKRNZ-ONNFQVAWSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds1

About [(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol

[(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol (PubChem CID 10535957) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is [(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol.

Molecular Properties

Compound Name[(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol
PubChem CID10535957
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name[(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol
SMILESOC/C1=C/CCCCC2(C1)OCCO2
InChIInChI=1S/C11H18O3/c12-9-10-4-2-1-3-5-11(8-10)13-6-7-14-11/h4,12H,1-3,5-9H2/b10-4+
InChIKeyYCIAGRNGGQKRNZ-ONNFQVAWSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
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
(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-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanol
CID 10058206
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
(E)-4-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 70643245
(E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol
CID 142714403

Frequently Asked Questions

What is the IUPAC name of [(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol?
The IUPAC name of [(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol (CID 10535957) is [(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol.
What is the SMILES notation for [(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol?
The canonical SMILES for [(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol is OC/C1=C/CCCCC2(C1)OCCO2.
What is the InChIKey of [(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol?
The InChIKey is YCIAGRNGGQKRNZ-ONNFQVAWSA-N. The full InChI is InChI=1S/C11H18O3/c12-9-10-4-2-1-3-5-11(8-10)13-6-7-14-11/h4,12H,1-3,5-9H2/b10-4+.
What are the key properties of [(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol?
[(7E)-1,4-dioxaspiro[4.7]dodec-7-en-7-yl]methanol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 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[4.7]dodec-7-en-7-yl]methanol is sourced from PubChem (CID 10535957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).