1,7-dioxaspiro[5.5]undec-2-en-4-ol

C9H14O3 — CID 14263737

IUPAC1,7-dioxaspiro[5.5]undec-2-en-4-ol
SMILESOC1C=COC2(CCCCO2)C1
InChIInChI=1S/C9H14O3/c10-8-3-6-12-9(7-8)4-1-2-5-11-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyFNZLOXLAPOMXJD-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.18
Rot. Bonds

About 1,7-dioxaspiro[5.5]undec-2-en-4-ol

1,7-dioxaspiro[5.5]undec-2-en-4-ol (PubChem CID 14263737) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,7-dioxaspiro[5.5]undec-2-en-4-ol.

Molecular Properties

Compound Name1,7-dioxaspiro[5.5]undec-2-en-4-ol
PubChem CID14263737
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1,7-dioxaspiro[5.5]undec-2-en-4-ol
SMILESOC1C=COC2(CCCCO2)C1
InChIInChI=1S/C9H14O3/c10-8-3-6-12-9(7-8)4-1-2-5-11-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyFNZLOXLAPOMXJD-UHFFFAOYSA-N
XLogP1.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1,10-dioxaspiro[4.5]dec-2-ene
CID 44551304
(7S)-1,4-dioxaspiro[4.5]dec-8-en-7-ol
CID 97303686
1,10-dioxaspiro[4.5]decan-2-ol
CID 130129338
1-oxaspiro[4.5]dec-2-en-4-ol
CID 10820780
1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764
(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
CID 130857690
(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 10058665
4,9-dioxaspiro[2.6]nonane
CID 68651979
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
(12E)-1,4-dioxaspiro[4.15]icos-12-ene
CID 11357975
(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol
CID 130917673
(3aR,6aS)-spiro[4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-ol
CID 102251763

Frequently Asked Questions

What is the IUPAC name of 1,7-dioxaspiro[5.5]undec-2-en-4-ol?
The IUPAC name of 1,7-dioxaspiro[5.5]undec-2-en-4-ol (CID 14263737) is 1,7-dioxaspiro[5.5]undec-2-en-4-ol.
What is the SMILES notation for 1,7-dioxaspiro[5.5]undec-2-en-4-ol?
The canonical SMILES for 1,7-dioxaspiro[5.5]undec-2-en-4-ol is OC1C=COC2(CCCCO2)C1.
What is the InChIKey of 1,7-dioxaspiro[5.5]undec-2-en-4-ol?
The InChIKey is FNZLOXLAPOMXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-8-3-6-12-9(7-8)4-1-2-5-11-9/h3,6,8,10H,1-2,4-5,7H2.
What are the key properties of 1,7-dioxaspiro[5.5]undec-2-en-4-ol?
1,7-dioxaspiro[5.5]undec-2-en-4-ol has a molecular weight of 170.21 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dioxaspiro[5.5]undec-2-en-4-ol is sourced from PubChem (CID 14263737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).