(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol

C8H14O4 — CID 130977943

IUPAC(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
SMILESO[C@@H]1CCCC2(OCCO2)[C@@H]1O
InChIInChI=1S/C8H14O4/c9-6-2-1-3-8(7(6)10)11-4-5-12-8/h6-7,9-10H,1-5H2/t6-,7-/m1/s1
InChIKeyZFVWPQXGAODYIC-RNFRBKRXSA-N
MW174.20 g/mol
LogP-0.36
Rot. Bonds

About (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol

(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol (PubChem CID 130977943) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol.

Molecular Properties

Compound Name(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
PubChem CID130977943
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
SMILESO[C@@H]1CCCC2(OCCO2)[C@@H]1O
InChIInChI=1S/C8H14O4/c9-6-2-1-3-8(7(6)10)11-4-5-12-8/h6-7,9-10H,1-5H2/t6-,7-/m1/s1
InChIKeyZFVWPQXGAODYIC-RNFRBKRXSA-N
XLogP-0.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol
CID 23315500
(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol
CID 102125811
spiro[1,3-dioxolane-2,2'-7-oxabicyclo[4.1.0]heptane]
CID 10953761
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 86594080
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 126846526
(2S,4R,5S,6R)-2-(2-hydroxyethyl)-1,7-dioxaspiro[5.5]undecane-4,5-diol
CID 23723024
(1S,2S,3R)-1-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 100932205
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
(1S)-2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)cyclohexan-1-ol
CID 45358553
(2'R,4'aR,4'bR,8'aS)-4'b-(1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,8'-2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene]-2'-ol
CID 11382114

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol?
The IUPAC name of (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol (CID 130977943) is (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol.
What is the SMILES notation for (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol?
The canonical SMILES for (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol is O[C@@H]1CCCC2(OCCO2)[C@@H]1O.
What is the InChIKey of (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol?
The InChIKey is ZFVWPQXGAODYIC-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14O4/c9-6-2-1-3-8(7(6)10)11-4-5-12-8/h6-7,9-10H,1-5H2/t6-,7-/m1/s1.
What are the key properties of (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol?
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol has a molecular weight of 174.20 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol is sourced from PubChem (CID 130977943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).