(1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene

C10H14O4 — CID 134963577

IUPAC(1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene
SMILESCC1(C)O[C@H]2O[C@@H]3C=CCO[C@H]3[C@H]2O1
InChIInChI=1S/C10H14O4/c1-10(2)13-8-7-6(4-3-5-11-7)12-9(8)14-10/h3-4,6-9H,5H2,1-2H3/t6-,7-,8-,9-/m1/s1
InChIKeyXFNVOIOMPJFKIV-FNCVBFRFSA-N
MW198.22 g/mol
LogP0.82
Rot. Bonds

About (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene

(1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene (PubChem CID 134963577) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene.

Molecular Properties

Compound Name(1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene
PubChem CID134963577
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene
SMILESCC1(C)O[C@H]2O[C@@H]3C=CCO[C@H]3[C@H]2O1
InChIInChI=1S/C10H14O4/c1-10(2)13-8-7-6(4-3-5-11-7)12-9(8)14-10/h3-4,6-9H,5H2,1-2H3/t6-,7-,8-,9-/m1/s1
InChIKeyXFNVOIOMPJFKIV-FNCVBFRFSA-N
XLogP0.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene with MolForge

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Launch Full Analysis

Related Compounds

(E)-4-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)but-3-en-2-one
CID 6272572
ethyl (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate
CID 10635888
(3aR,5S,6aR)-5-[(1E)-buta-1,3-dienyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 10867244
(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11084851
(3aS,5aR,8aS,8bS)-2,2,7,7-tetramethyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-g][1,3]benzodioxole
CID 13006097
5-Ethenyl-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18534362
(3aS,4S,6R,6aS)-6-ethenyl-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 101003429
(E)-3-[(3aR,5R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enal
CID 134856252
(3aR,5S,6aR)-5-[(1Z)-buta-1,3-dienyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 134993573
dilithium;(3aS,4R,5R,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diolate
CID 135083615
(3aS,4S,6R,6aS)-4-methoxy-6-[(1Z,3E)-4-methoxybuta-1,3-dienyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 146018208
(3aS,4S,6aS)-4-methoxy-6-[(1E,3E)-4-methoxybuta-1,3-dienyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 146018209

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene?
The IUPAC name of (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene (CID 134963577) is (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene.
What is the SMILES notation for (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene?
The canonical SMILES for (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene is CC1(C)O[C@H]2O[C@@H]3C=CCO[C@H]3[C@H]2O1.
What is the InChIKey of (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene?
The InChIKey is XFNVOIOMPJFKIV-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(2)13-8-7-6(4-3-5-11-7)12-9(8)14-10/h3-4,6-9H,5H2,1-2H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene?
(1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene has a molecular weight of 198.22 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-9-ene is sourced from PubChem (CID 134963577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).