(3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C10H16O3 — CID 11542886

IUPAC(3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC=C[C@@H]1O[C@H](C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C10H16O3/c1-5-7-9-8(6(2)11-7)12-10(3,4)13-9/h5-9H,1H2,2-4H3/t6-,7+,8-,9+/m1/s1
InChIKeyWGKDFQXQMUQWLO-XAVMHZPKSA-N
MW184.23 g/mol
LogP1.48
Rot. Bonds1

About (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 11542886) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID11542886
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESC=C[C@@H]1O[C@H](C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C10H16O3/c1-5-7-9-8(6(2)11-7)12-10(3,4)13-9/h5-9H,1H2,2-4H3/t6-,7+,8-,9+/m1/s1
InChIKeyWGKDFQXQMUQWLO-XAVMHZPKSA-N
XLogP1.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole with MolForge

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Related Compounds

2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 73825221
5,6,7-Trideoxy-3-O-methyl-1,2-O-(1-methylethylidene)-|A-D-xylo-hept-6-enofuranose
CID 44477776
5-Ethenyl-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18534362
(3R)-3-[(1R)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane
CID 91982449
(3aS,4S,6R,6aS)-6-ethenyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 101003429
(3R)-3-[(1S)-1-prop-2-enoxybut-3-enyl]-1,4-dioxaspiro[4.5]decane
CID 101424164
(2S,3R)-3-ethenyl-2-methyl-1,4-dioxaspiro[4.5]decane
CID 134846281
(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
tributyl-[(E)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-enyl]stannane
CID 139249348
(3aS,4S,6aR)-4-(2,2-difluoroethenyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 21578425
(4S,5S)-4,5-bis[(1S)-1-methoxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
CID 12051046
Lgrdgpnedfqcgt-rqjhmyqmsa-
CID 21726394

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 11542886) is (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is C=C[C@@H]1O[C@H](C)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is WGKDFQXQMUQWLO-XAVMHZPKSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-7-9-8(6(2)11-7)12-10(3,4)13-9/h5-9H,1H2,2-4H3/t6-,7+,8-,9+/m1/s1.
What are the key properties of (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 184.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6R,6aR)-4-ethenyl-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 11542886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).