8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol

C8H14O5 — CID 78173804

IUPAC8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol
SMILESCC1(O)CC2(CO1)OCC(O)C2O
InChIInChI=1S/C8H14O5/c1-7(11)3-8(4-13-7)6(10)5(9)2-12-8/h5-6,9-11H,2-4H2,1H3
InChIKeyGEMQYLVRMCCZID-UHFFFAOYSA-N
MW190.19 g/mol
LogP-1.39
Rot. Bonds

About 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol

8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol (PubChem CID 78173804) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol.

Molecular Properties

Compound Name8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol
PubChem CID78173804
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol
SMILESCC1(O)CC2(CO1)OCC(O)C2O
InChIInChI=1S/C8H14O5/c1-7(11)3-8(4-13-7)6(10)5(9)2-12-8/h5-6,9-11H,2-4H2,1H3
InChIKeyGEMQYLVRMCCZID-UHFFFAOYSA-N
XLogP-1.39
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol
CID 178194845
(3S,4S,5R)-2-methyloxane-2,3,4,5-tetrol
CID 102453556
(3R)-8-undecyl-1,7,9-trioxaspiro[4.5]decane-3,4-diol
CID 155439167
4-oxaspiro[2.5]octane-6,7,8-triol
CID 123215793
(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one
CID 102312082
(4R,5S,6R)-2,7,8-trioxabicyclo[4.2.0]octane-1,4,5,6-tetrol
CID 141078298
(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
CID 22887091
(3aS,4S,5R,7aR)-2,2-dimethylspiro[4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5,2'-oxirane]-4-ol
CID 11333120
(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 131019383
(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 158000416
(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol?
The IUPAC name of 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol (CID 78173804) is 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol.
What is the SMILES notation for 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol?
The canonical SMILES for 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol is CC1(O)CC2(CO1)OCC(O)C2O.
What is the InChIKey of 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol?
The InChIKey is GEMQYLVRMCCZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-7(11)3-8(4-13-7)6(10)5(9)2-12-8/h5-6,9-11H,2-4H2,1H3.
What are the key properties of 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol?
8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol has a molecular weight of 190.19 g/mol, XLogP of -1.39, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,7-dioxaspiro[4.4]nonane-3,4,8-triol is sourced from PubChem (CID 78173804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).