(4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane

C15H28O5 — CID 14489272

IUPAC(4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-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)OCOCCOC
InChIInChI=1S/C15H28O5/c1-11(2)12-13(20-15(5,6)19-12)14(3,4)18-10-17-9-8-16-7/h12-13H,1,8-10H2,2-7H3/t12-,13+/m0/s1
InChIKeyKFUAMGGLCZFQKY-QWHCGFSZSA-N
MW288.38 g/mol
LogP2.50
Rot. Bonds8

About (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane

(4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 14489272) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
PubChem CID14489272
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name(4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-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)OCOCCOC
InChIInChI=1S/C15H28O5/c1-11(2)12-13(20-15(5,6)19-12)14(3,4)18-10-17-9-8-16-7/h12-13H,1,8-10H2,2-7H3/t12-,13+/m0/s1
InChIKeyKFUAMGGLCZFQKY-QWHCGFSZSA-N
XLogP2.50
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,6,6-Trimethyl-4-prop-1-en-2-yl-2,3,7,8-tetraoxabicyclo[3.2.1]octane
CID 135015130
(4R,5S)-4-(2-methoxypropan-2-yl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
CID 135057215
1,3-Dioxolane, 4,5-diisopropenyl-2,2-dimethyl-
CID 539045
4-Ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
CID 19005248
(4S,5R)-2,2-Dimethyl-4-isobutyl-5-vinyl-1,3-dioxolane
CID 57017871
(3aR,5S,6S,6aR)-5-ethyl-6-methoxy-2,2-dimethyl-5-prop-1-en-2-yl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 58166336
[(3R,4S,5S)-2-acetyloxy-5-ethyl-4-methoxy-5-prop-1-en-2-yloxolan-3-yl] acetate
CID 58166380
(4R,5R)-2,2-dimethyl-4,5-bis(prop-1-en-2-yl)-1,3-dioxolane
CID 59070545
(4R)-4-(1-methoxyethenyl)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane
CID 129199121
2-Methoxy-2,4,5-trimethyl-4-(2-methylprop-2-enoxy)oxolane
CID 130346271
4-Methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane
CID 134378901
2,4,5-Tris(prop-1-en-2-yl)-1,3-dioxolane
CID 154108108

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane (CID 14489272) is (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-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)OCOCCOC.
What is the InChIKey of (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is KFUAMGGLCZFQKY-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28O5/c1-11(2)12-13(20-15(5,6)19-12)14(3,4)18-10-17-9-8-16-7/h12-13H,1,8-10H2,2-7H3/t12-,13+/m0/s1.
What are the key properties of (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane?
(4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 288.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[2-(2-methoxyethoxymethoxy)propan-2-yl]-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 14489272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).