(3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one

C10H14O4 — CID 132555505

IUPAC(3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one
SMILESCC1=C[C@@]2(C[C@@H](O)C(C)(C)O2)OC1=O
InChIInChI=1S/C10H14O4/c1-6-4-10(13-8(6)12)5-7(11)9(2,3)14-10/h4,7,11H,5H2,1-3H3/t7-,10-/m1/s1
InChIKeyGGILYKOVIOQIRE-GMSGAONNSA-N
MW198.22 g/mol
LogP0.75
Rot. Bonds

About (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one

(3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 132555505) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name(3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one
PubChem CID132555505
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one
SMILESCC1=C[C@@]2(C[C@@H](O)C(C)(C)O2)OC1=O
InChIInChI=1S/C10H14O4/c1-6-4-10(13-8(6)12)5-7(11)9(2,3)14-10/h4,7,11H,5H2,1-3H3/t7-,10-/m1/s1
InChIKeyGGILYKOVIOQIRE-GMSGAONNSA-N
XLogP0.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Xylogiblactone B
CID 101882366
Xylogiblactone C
CID 139583832
3-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one
CID 10680117
(2R)-2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one
CID 10846279
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-4-methylpent-2-enoate
CID 11615686
ethyl (E,4R,5R)-5-hydroxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate
CID 46849797
(2S)-2-[(1R)-1-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2H-furan-5-one
CID 72163503
methyl (E,4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-4-methylpent-2-enoate
CID 134971260
ethyl (E)-2-methyl-3-[(3R)-2-methyl-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]oxiran-2-yl]prop-2-enoate
CID 139252219
8-Hydroxy-4,7,7-trimethyl-1,6-dioxaspiro[4.4]non-3-en-2-one
CID 155882898
ethyl (E,5S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxyhept-2-enoate
CID 162397867
(2E,6E)-9-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)-2,6-dimethylnona-2,6-dienoic acid
CID 45360017

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one (CID 132555505) is (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one is CC1=C[C@@]2(C[C@@H](O)C(C)(C)O2)OC1=O.
What is the InChIKey of (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is GGILYKOVIOQIRE-GMSGAONNSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-4-10(13-8(6)12)5-7(11)9(2,3)14-10/h4,7,11H,5H2,1-3H3/t7-,10-/m1/s1.
What are the key properties of (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one?
(3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 198.22 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-hydroxy-2,2,8-trimethyl-1,6-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 132555505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).