[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol

C9H16O4 — CID 593822

IUPAC[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
SMILESOCC1CC2(CC1CO)OCCO2
InChIInChI=1S/C9H16O4/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9/h7-8,10-11H,1-6H2
InChIKeyVEAUZHKVSJXEPT-UHFFFAOYSA-N
MW188.22 g/mol
LogP-0.26
Rot. Bonds2

About [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol

[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol (PubChem CID 593822) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol.

Molecular Properties

Compound Name[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
PubChem CID593822
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
SMILESOCC1CC2(CC1CO)OCCO2
InChIInChI=1S/C9H16O4/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9/h7-8,10-11H,1-6H2
InChIKeyVEAUZHKVSJXEPT-UHFFFAOYSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1'R,2'S,3'aS,6'aS)-spiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydro-1H-pentalene]-1',2'-diol
CID 90682014
1,4-Dioxaspiro[4.4]non-7-ylmethanol
CID 567468
1,4-Dioxaspiro[4.4]nonane-7-ethanol
CID 67229388
(1S)-1-[(1R,2R,4S)-2-(hydroxymethyl)-3,3-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopentyl]ethanol
CID 154720137
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-(2-hydroxyethyl)-4-(R)-(2-methoxyethoxymethoxy)-
CID 560113
(1R,3aS,5R,6aR)-5-(2-methoxyethoxymethoxy)-1-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 10267037
3-(1,4-Dioxaspiro[4.4]nonan-9-yl)propan-1-ol
CID 11819772
rel-((7R,8R)-1,4-Dioxaspiro[4.4]nonane-7,8-diyl)dimethanol
CID 13235312
((7R,8S)-8-hydroxymethyl-1,4-dioxa-spiro[4.4]non-7-yl)-methanol
CID 13235313
[3-(Hydroxymethyl)-6,10-dioxaspiro[4.5]decan-2-yl]methanol
CID 13903794
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-ol
CID 14429286
spiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydro-1H-pentalene]-1'-ol
CID 18682719

Frequently Asked Questions

What is the IUPAC name of [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
The IUPAC name of [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol (CID 593822) is [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol.
What is the SMILES notation for [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
The canonical SMILES for [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol is OCC1CC2(CC1CO)OCCO2.
What is the InChIKey of [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
The InChIKey is VEAUZHKVSJXEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c10-5-7-3-9(4-8(7)6-11)12-1-2-13-9/h7-8,10-11H,1-6H2.
What are the key properties of [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol?
[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol has a molecular weight of 188.22 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol is sourced from PubChem (CID 593822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).