(3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

C15H26O4 — CID 168912945

IUPAC(3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESC=CC[C@H]1O[C@H](OC)[C@H](C(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C15H26O4/c1-7-8-10-12-13(19-15(4,5)18-12)11(9(2)3)14(16-6)17-10/h7,9-14H,1,8H2,2-6H3/t10-,11-,12+,13-,14+/m1/s1
InChIKeyUWCAUZIPXLFDEH-RGDJUOJXSA-N
MW270.37 g/mol
LogP2.73
Rot. Bonds4

About (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

(3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (PubChem CID 168912945) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.

Molecular Properties

Compound Name(3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
PubChem CID168912945
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
SMILESC=CC[C@H]1O[C@H](OC)[C@H](C(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C15H26O4/c1-7-8-10-12-13(19-15(4,5)18-12)11(9(2)3)14(16-6)17-10/h7,9-14H,1,8H2,2-6H3/t10-,11-,12+,13-,14+/m1/s1
InChIKeyUWCAUZIPXLFDEH-RGDJUOJXSA-N
XLogP2.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran 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 (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The IUPAC name of (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran (CID 168912945) is (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran.
What is the SMILES notation for (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The canonical SMILES for (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is C=CC[C@H]1O[C@H](OC)[C@H](C(C)C)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
The InChIKey is UWCAUZIPXLFDEH-RGDJUOJXSA-N. The full InChI is InChI=1S/C15H26O4/c1-7-8-10-12-13(19-15(4,5)18-12)11(9(2)3)14(16-6)17-10/h7,9-14H,1,8H2,2-6H3/t10-,11-,12+,13-,14+/m1/s1.
What are the key properties of (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran?
(3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran has a molecular weight of 270.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6S,7R,7aR)-6-methoxy-2,2-dimethyl-7-propan-2-yl-4-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran is sourced from PubChem (CID 168912945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).