(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole

C18H28O6 — CID 134845234

IUPAC(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
SMILESC=CCO[C@]1(CC=C)C([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C18H28O6/c1-7-9-18(19-10-8-2)13(12-11-20-16(3,4)22-12)21-15-14(18)23-17(5,6)24-15/h7-8,12-15H,1-2,9-11H2,3-6H3/t12-,13?,14+,15-,18-/m1/s1
InChIKeyAHPYRQKFGZWZEF-COJFQYDSSA-N
MW340.42 g/mol
LogP2.53
Rot. Bonds6

About (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole

(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole (PubChem CID 134845234) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
PubChem CID134845234
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
SMILESC=CCO[C@]1(CC=C)C([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C18H28O6/c1-7-9-18(19-10-8-2)13(12-11-20-16(3,4)22-12)21-15-14(18)23-17(5,6)24-15/h7-8,12-15H,1-2,9-11H2,3-6H3/t12-,13?,14+,15-,18-/m1/s1
InChIKeyAHPYRQKFGZWZEF-COJFQYDSSA-N
XLogP2.53
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole with MolForge

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Launch Full Analysis

Related Compounds

alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-3-O-2-propenyl-
CID 209755
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 11426181
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 12186301
1,2:5,6-Bis-O-(1-methylethylidene)-3-O-2-propen-1-yl-alpha-D-glucofuranose
CID 10979497
(3aR,5S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 12111061
(3aR,5R,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 15658509
(3aR,5R,6S,6aS)-5-(butoxymethyl)-5-ethenyl-6-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 121245831
5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 14015748
(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11277987
(3aR,5S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hepta-1,6-dienylidene-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 12186734
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyl-2,2-dimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 56935434
(3'aR,5R,5'R,6'aR)-5'-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2',2'-dimethylspiro[2H-furan-5,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]
CID 56935435

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole (CID 134845234) is (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole is C=CCO[C@]1(CC=C)C([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
The InChIKey is AHPYRQKFGZWZEF-COJFQYDSSA-N. The full InChI is InChI=1S/C18H28O6/c1-7-9-18(19-10-8-2)13(12-11-20-16(3,4)22-12)21-15-14(18)23-17(5,6)24-15/h7-8,12-15H,1-2,9-11H2,3-6H3/t12-,13?,14+,15-,18-/m1/s1.
What are the key properties of (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole?
(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole has a molecular weight of 340.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole is sourced from PubChem (CID 134845234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).