(2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene

C16H28O4 — CID 14509799

IUPAC(2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCOC(C)(C)[C@@H]1OC2(C=CCCC2)O[C@H]1C(C)(C)OC
InChIInChI=1S/C16H28O4/c1-14(2,17-5)12-13(15(3,4)18-6)20-16(19-12)10-8-7-9-11-16/h8,10,12-13H,7,9,11H2,1-6H3/t12-,13-/m1/s1
InChIKeyZXQZZONWINLVMY-CHWSQXEVSA-N
MW284.40 g/mol
LogP3.06
Rot. Bonds4

About (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene

(2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 14509799) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID14509799
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCOC(C)(C)[C@@H]1OC2(C=CCCC2)O[C@H]1C(C)(C)OC
InChIInChI=1S/C16H28O4/c1-14(2,17-5)12-13(15(3,4)18-6)20-16(19-12)10-8-7-9-11-16/h8,10,12-13H,7,9,11H2,1-6H3/t12-,13-/m1/s1
InChIKeyZXQZZONWINLVMY-CHWSQXEVSA-N
XLogP3.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.06
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
5-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 91147298
(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
(3aS,4S,7aR)-2,2,4,7a-tetramethyl-4,5-dihydro-3aH-1,3-benzodioxole
CID 21670914
(3aR,5S,7aS)-5-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 15834237
Tert-butyl (3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl) carbonate
CID 22618971
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

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene (CID 14509799) is (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene is COC(C)(C)[C@@H]1OC2(C=CCCC2)O[C@H]1C(C)(C)OC.
What is the InChIKey of (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is ZXQZZONWINLVMY-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H28O4/c1-14(2,17-5)12-13(15(3,4)18-6)20-16(19-12)10-8-7-9-11-16/h8,10,12-13H,7,9,11H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene?
(2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 284.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(2-methoxypropan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 14509799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).