4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C13H22O4 — CID 123243953

IUPAC4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC=CCCCC1OC(OC)C2OC(C)(C)OC12
InChIInChI=1S/C13H22O4/c1-5-6-7-8-9-10-11(12(14-4)15-9)17-13(2,3)16-10/h5,9-12H,1,6-8H2,2-4H3
InChIKeyLGIIEQOXRQTUFK-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.23
Rot. Bonds5

About 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 123243953) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID123243953
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC=CCCCC1OC(OC)C2OC(C)(C)OC12
InChIInChI=1S/C13H22O4/c1-5-6-7-8-9-10-11(12(14-4)15-9)17-13(2,3)16-10/h5,9-12H,1,6-8H2,2-4H3
InChIKeyLGIIEQOXRQTUFK-UHFFFAOYSA-N
XLogP2.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole with MolForge

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Related Compounds

[(3aS,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 12696595
[(3aR,4R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 129137009
(3aS,6R,6aR)-6-(chloromethyl)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 70023469
[(4R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 123304821
sodium 2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl-dioxidophosphanium
CID 101178419
(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl prop-2-enoate
CID 58942936
prop-2-enyl (3aR,4R,6S,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate
CID 100977628
(3aR,6R,6aR)-2,2-dimethyl-4-prop-2-enoxy-6-(prop-2-enoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 11832466
(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 22887291
(3aR,4R,6S,6aS)-6-(diethoxyphosphorylmethyl)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 11110123
propan-2-yl (2R)-3-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-hydroxypropanoate
CID 101172438
(4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 122497048

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 123243953) is 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is C=CCCCC1OC(OC)C2OC(C)(C)OC12.
What is the InChIKey of 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is LGIIEQOXRQTUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-5-6-7-8-9-10-11(12(14-4)15-9)17-13(2,3)16-10/h5,9-12H,1,6-8H2,2-4H3.
What are the key properties of 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 242.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 123243953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).