(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane

C12H22O3 — CID 135057215

IUPAC(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)[C@@H]1OC(C)(C)O[C@H]1C(C)(C)OC
InChIInChI=1S/C12H22O3/c1-8(2)9-10(11(3,4)13-7)15-12(5,6)14-9/h9-10H,1H2,2-7H3/t9-,10+/m0/s1
InChIKeyXTXHJNLCKXBZOP-VHSXEESVSA-N
MW214.30 g/mol
LogP2.51
Rot. Bonds3

About (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane

(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 135057215) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
PubChem CID135057215
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)[C@@H]1OC(C)(C)O[C@H]1C(C)(C)OC
InChIInChI=1S/C12H22O3/c1-8(2)9-10(11(3,4)13-7)15-12(5,6)14-9/h9-10H,1H2,2-7H3/t9-,10+/m0/s1
InChIKeyXTXHJNLCKXBZOP-VHSXEESVSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane with MolForge

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Related Compounds

(4R,5R)-4-ethenyl-2,2,4-trimethyl-5-(3-methylbut-2-enyl)-1,3-dioxolane
CID 134960666
1,6,6-Trimethyl-4-prop-1-en-2-yl-2,3,7,8-tetraoxabicyclo[3.2.1]octane
CID 135015130
(4S,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605
1,3-Dioxolane, 4,5-diisopropenyl-2,2-dimethyl-
CID 539045
(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
CID 11095259
(4S,5S)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
CID 11830070
4-Ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
CID 19005248
2-Methyl-2-(3-methylbutyl)-4-vinyl-[1,3]dioxolane
CID 19388286
(4S,5R)-2,2-Dimethyl-4-isobutyl-5-vinyl-1,3-dioxolane
CID 57017871
(4R)-4-[(1S)-1-methoxy-3-methylbut-3-enyl]-2,2-dimethyl-1,3-dioxolane
CID 58797965
(4R,5R)-2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane
CID 59070545
4-Ethenyl-2-methyl-2-(2-methylbutyl)-1,3-dioxolane
CID 67789088

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane (CID 135057215) is (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane is C=C(C)[C@@H]1OC(C)(C)O[C@H]1C(C)(C)OC.
What is the InChIKey of (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is XTXHJNLCKXBZOP-VHSXEESVSA-N. The full InChI is InChI=1S/C12H22O3/c1-8(2)9-10(11(3,4)13-7)15-12(5,6)14-9/h9-10H,1H2,2-7H3/t9-,10+/m0/s1.
What are the key properties of (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 214.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 135057215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).