(4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine

C16H26O4 — CID 11335047

IUPAC(4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
SMILESC=CCO[C@H]1C[C@H]2OC(C)(C)OC[C@]2(C)O[C@@H]1C(=C)C
InChIInChI=1S/C16H26O4/c1-7-8-17-12-9-13-16(6,20-14(12)11(2)3)10-18-15(4,5)19-13/h7,12-14H,1-2,8-10H2,3-6H3/t12-,13+,14+,16-/m0/s1
InChIKeyUQKUECCMXXJEBI-NHIYQJMISA-N
MW282.38 g/mol
LogP2.83
Rot. Bonds4

About (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine

(4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine (PubChem CID 11335047) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
PubChem CID11335047
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
SMILESC=CCO[C@H]1C[C@H]2OC(C)(C)OC[C@]2(C)O[C@@H]1C(=C)C
InChIInChI=1S/C16H26O4/c1-7-8-17-12-9-13-16(6,20-14(12)11(2)3)10-18-15(4,5)19-13/h7,12-14H,1-2,8-10H2,3-6H3/t12-,13+,14+,16-/m0/s1
InChIKeyUQKUECCMXXJEBI-NHIYQJMISA-N
XLogP2.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine?
The IUPAC name of (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine (CID 11335047) is (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine is C=CCO[C@H]1C[C@H]2OC(C)(C)OC[C@]2(C)O[C@@H]1C(=C)C.
What is the InChIKey of (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine?
The InChIKey is UQKUECCMXXJEBI-NHIYQJMISA-N. The full InChI is InChI=1S/C16H26O4/c1-7-8-17-12-9-13-16(6,20-14(12)11(2)3)10-18-15(4,5)19-13/h7,12-14H,1-2,8-10H2,3-6H3/t12-,13+,14+,16-/m0/s1.
What are the key properties of (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine?
(4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine has a molecular weight of 282.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6R,7S,8aR)-2,2,4a-trimethyl-7-prop-2-enoxy-6-prop-1-en-2-yl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 11335047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).