(3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol

C64H90O15 — CID 161395710

IUPAC(3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
SMILESCC1=C[C@@H]2OC(C)(C)O[C@@H]2C1=O.CC1C(=O)C2OC(C)(C)OC2C1OC(C)(C)c1ccccc1.CC1C(O)C2OC(C)(C)OC2C1OC(C)(C)c1ccccc1.COC1C(C)C(OC(C)(C)c2ccccc2)C2OC(C)(C)OC12
InChIInChI=1S/C19H28O4.C18H26O4.C18H24O4.C9H12O3/c1-12-14(20-6)16-17(23-19(4,5)22-16)15(12)21-18(2,3)13-10-8-7-9-11-13;2*1-11-13(19)15-16(22-18(4,5)21-15)14(11)20-17(2,3)12-9-7-6-8-10-12;1-5-4-6-8(7(5)10)12-9(2,3)11-6/h7-12,14-17H,1-6H3;6-11,13-16,19H,1-5H3;6-11,14-16H,1-5H3;4,6,8H,1-3H3/t;;;6-,8-/m...0/s1
InChIKeyVTOLGCPXFYPKBQ-HNQSZUSMSA-N
MW1099.41 g/mol
LogP10.41
Rot. Bonds10

About (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol

(3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol (PubChem CID 161395710) has the molecular formula C64H90O15 and a molecular weight of 1099.41 g/mol. Its IUPAC name is (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
PubChem CID161395710
Molecular FormulaC64H90O15
Molecular Weight1099.41 g/mol
Exact Mass1098.63
IUPAC Name(3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
SMILESCC1=C[C@@H]2OC(C)(C)O[C@@H]2C1=O.CC1C(=O)C2OC(C)(C)OC2C1OC(C)(C)c1ccccc1.CC1C(O)C2OC(C)(C)OC2C1OC(C)(C)c1ccccc1.COC1C(C)C(OC(C)(C)c2ccccc2)C2OC(C)(C)OC12
InChIInChI=1S/C19H28O4.C18H26O4.C18H24O4.C9H12O3/c1-12-14(20-6)16-17(23-19(4,5)22-16)15(12)21-18(2,3)13-10-8-7-9-11-13;2*1-11-13(19)15-16(22-18(4,5)21-15)14(11)20-17(2,3)12-9-7-6-8-10-12;1-5-4-6-8(7(5)10)12-9(2,3)11-6/h7-12,14-17H,1-6H3;6-11,13-16,19H,1-5H3;6-11,14-16H,1-5H3;4,6,8H,1-3H3/t;;;6-,8-/m...0/s1
InChIKeyVTOLGCPXFYPKBQ-HNQSZUSMSA-N
XLogP10.41
TPSA165.13 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.41
LogP ≤ 510.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The IUPAC name of (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol (CID 161395710) is (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The canonical SMILES for (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol is CC1=C[C@@H]2OC(C)(C)O[C@@H]2C1=O.CC1C(=O)C2OC(C)(C)OC2C1OC(C)(C)c1ccccc1.CC1C(O)C2OC(C)(C)OC2C1OC(C)(C)c1ccccc1.COC1C(C)C(OC(C)(C)c2ccccc2)C2OC(C)(C)OC12.
What is the InChIKey of (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
The InChIKey is VTOLGCPXFYPKBQ-HNQSZUSMSA-N. The full InChI is InChI=1S/C19H28O4.C18H26O4.C18H24O4.C9H12O3/c1-12-14(20-6)16-17(23-19(4,5)22-16)15(12)21-18(2,3)13-10-8-7-9-11-13;2*1-11-13(19)15-16(22-18(4,5)21-15)14(11)20-17(2,3)12-9-7-6-8-10-12;1-5-4-6-8(7(5)10)12-9(2,3)11-6/h7-12,14-17H,1-6H3;6-11,13-16,19H,1-5H3;6-11,14-16H,1-5H3;4,6,8H,1-3H3/t;;;6-,8-/m...0/s1.
What are the key properties of (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol?
(3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol has a molecular weight of 1099.41 g/mol, XLogP of 10.41, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one;6-methoxy-2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole;2,2,5-trimethyl-6-(2-phenylpropan-2-yloxy)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one;2,2,5-trimethyl-4-(2-phenylpropan-2-yloxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-ol is sourced from PubChem (CID 161395710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).