(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane

C13H22O2 — CID 134960666

IUPAC(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane
SMILESC=C[C@@]1(C)OC(C)(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C13H22O2/c1-7-13(6)11(9-8-10(2)3)14-12(4,5)15-13/h7-8,11H,1,9H2,2-6H3/t11-,13-/m1/s1
InChIKeyYJAOGSAKHXUUGH-DGCLKSJQSA-N
MW210.32 g/mol
LogP3.44
Rot. Bonds3

About (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane

(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane (PubChem CID 134960666) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane
PubChem CID134960666
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane
SMILESC=C[C@@]1(C)OC(C)(C)O[C@@H]1CC=C(C)C
InChIInChI=1S/C13H22O2/c1-7-13(6)11(9-8-10(2)3)14-12(4,5)15-13/h7-8,11H,1,9H2,2-6H3/t11-,13-/m1/s1
InChIKeyYJAOGSAKHXUUGH-DGCLKSJQSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-
CID 162027
(4R,5S)-4-[(E,2S,5S)-3-fluoro-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolane
CID 89721730
2,2,8-Trimethyl-1,3-dioxaspiro[4.4]non-8-ene
CID 11355699
(2S,5R)-5-but-3-enyl-2-(methoxymethyl)-3,5-dimethyl-2H-furan
CID 11469648
tributyl-[(E)-2-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl]stannane
CID 16744723
(5R)-7,7,9-trimethyl-1,6-dioxaspiro[4.5]dec-9-ene
CID 101805737
(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
3-(1,1-Dimethoxyethoxy)-3,7-dimethylocta-1,6-diene
CID 135039571
(4S,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605
(1S)-2-methyl-1-[2-(2-methylprop-1-enyl)-1,3-dioxolan-2-yl]propane-1,2-diol
CID 135056753
(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
CID 135057215
(1S)-2-methyl-1-[2-[(E)-prop-1-enyl]-1,3-dioxolan-2-yl]propane-1,2-diol
CID 135065817

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane (CID 134960666) is (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane is C=C[C@@]1(C)OC(C)(C)O[C@@H]1CC=C(C)C.
What is the InChIKey of (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane?
The InChIKey is YJAOGSAKHXUUGH-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H22O2/c1-7-13(6)11(9-8-10(2)3)14-12(4,5)15-13/h7-8,11H,1,9H2,2-6H3/t11-,13-/m1/s1.
What are the key properties of (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane?
(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane is sourced from PubChem (CID 134960666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).