(2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene

C20H36O4 — CID 10831044

IUPAC(2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCCC(C)(C)OC[C@@H]1OC2(C=CCCC2)O[C@H]1COC(C)(C)CC
InChIInChI=1S/C20H36O4/c1-7-18(3,4)21-14-16-17(15-22-19(5,6)8-2)24-20(23-16)12-10-9-11-13-20/h10,12,16-17H,7-9,11,13-15H2,1-6H3/t16-,17-/m0/s1
InChIKeyONSOBAYRMFDQHI-IRXDYDNUSA-N
MW340.50 g/mol
LogP4.62
Rot. Bonds8

About (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene

(2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10831044) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10831044
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name(2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCCC(C)(C)OC[C@@H]1OC2(C=CCCC2)O[C@H]1COC(C)(C)CC
InChIInChI=1S/C20H36O4/c1-7-18(3,4)21-14-16-17(15-22-19(5,6)8-2)24-20(23-16)12-10-9-11-13-20/h10,12,16-17H,7-9,11,13-15H2,1-6H3/t16-,17-/m0/s1
InChIKeyONSOBAYRMFDQHI-IRXDYDNUSA-N
XLogP4.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
(3aS,5aR,8aS,8bS)-2,2,7,7-tetramethyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-g][1,3]benzodioxole
CID 13006097
(3R)-3-methyl-3-[[(2R,6R)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
CID 25111177
(3R)-3-methyl-3-[[(2R,6S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-yl]methyl]-1,4-dioxaspiro[4.5]decane
CID 25111178
(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 134967156
(3aR,5S,7aS)-5-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 15834237
Tert-butyl 7-oxabicyclo[2.2.1]hept-5-en-2-yl carbonate
CID 22618979
Tert-butyl (2-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl) carbonate
CID 22619006
(3aS,4S,7S,7aS)-4,7-diethoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole
CID 54365077
(4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane
CID 70845211
2,2,3,3,10,10,11,11-Octamethyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradec-13-ene
CID 118300374
Tert-butyl 1,4-dioxaspiro[4.5]dec-8-en-7-yl carbonate
CID 126565085

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene (CID 10831044) is (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene is CCC(C)(C)OC[C@@H]1OC2(C=CCCC2)O[C@H]1COC(C)(C)CC.
What is the InChIKey of (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is ONSOBAYRMFDQHI-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H36O4/c1-7-18(3,4)21-14-16-17(15-22-19(5,6)8-2)24-20(23-16)12-10-9-11-13-20/h10,12,16-17H,7-9,11,13-15H2,1-6H3/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene?
(2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 340.50 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-bis(2-methylbutan-2-yloxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10831044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).