(4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane

C12H22O4 — CID 51042315

IUPAC(4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane
SMILESC=CC[C@@H](OCOC)[C@@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C12H22O4/c1-6-7-10(14-8-13-5)11-9(2)15-12(3,4)16-11/h6,9-11H,1,7-8H2,2-5H3/t9-,10-,11-/m1/s1
InChIKeyUFIDBSHPMBGVGH-GMTAPVOTSA-N
MW230.30 g/mol
LogP2.09
Rot. Bonds6

About (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane

(4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane (PubChem CID 51042315) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane
PubChem CID51042315
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane
SMILESC=CC[C@@H](OCOC)[C@@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C12H22O4/c1-6-7-10(14-8-13-5)11-9(2)15-12(3,4)16-11/h6,9-11H,1,7-8H2,2-5H3/t9-,10-,11-/m1/s1
InChIKeyUFIDBSHPMBGVGH-GMTAPVOTSA-N
XLogP2.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(But-3-en-1-yl)-2,2-dimethyl-1,3-dioxolane
CID 10898938
4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
5,6,7-Trideoxy-3-O-methyl-1,2-O-(1-methylethylidene)-|A-D-xylo-hept-6-enofuranose
CID 44477776
2-Methyl-2-pent-4-enyl-1,3-dioxolane
CID 13149316
2-Allyl-4ethoxymethyl-1,3-dioxolane
CID 85723571
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enyl] acetate
CID 101441099
[(4R,5S,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-yl] acetate
CID 134839712
magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide
CID 134879430
2,2-dimethyl-4-[(1S)-1-propoxybut-3-enyl]-1,3-dioxolane
CID 135037141
2-But-3-enyl-2-ethyl-1,3-dioxolane
CID 135038706
(4R)-4-(chloromethyl)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolane
CID 135040163
(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-prop-2-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 138977914

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane (CID 51042315) is (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane is C=CC[C@@H](OCOC)[C@@H]1OC(C)(C)O[C@@H]1C.
What is the InChIKey of (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane?
The InChIKey is UFIDBSHPMBGVGH-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H22O4/c1-6-7-10(14-8-13-5)11-9(2)15-12(3,4)16-11/h6,9-11H,1,7-8H2,2-5H3/t9-,10-,11-/m1/s1.
What are the key properties of (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane?
(4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane has a molecular weight of 230.30 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 51042315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).