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

C14H26O5Si — CID 10590499

IUPAC[(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)O[C@H]1[C@@H](OC)OC[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C14H26O5Si/c1-7-8-20(5,6)19-12-11-10(9-16-13(12)15-4)17-14(2,3)18-11/h7,10-13H,1,8-9H2,2-6H3/t10-,11-,12+,13-/m0/s1
InChIKeyHVWZUGFQRLYRRD-RVMXOQNASA-N
MW302.44 g/mol
LogP2.29
Rot. Bonds5

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

[(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane (PubChem CID 10590499) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name[(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane
PubChem CID10590499
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)O[C@H]1[C@@H](OC)OC[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C14H26O5Si/c1-7-8-20(5,6)19-12-11-10(9-16-13(12)15-4)17-14(2,3)18-11/h7,10-13H,1,8-9H2,2-6H3/t10-,11-,12+,13-/m0/s1
InChIKeyHVWZUGFQRLYRRD-RVMXOQNASA-N
XLogP2.29
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane with MolForge

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

Launch Full Analysis

Related Compounds

[(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10991555
[(3aR,4R,7R,7aR)-2,2-dimethyl-6-pent-4-enoxy-7-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134878490
[(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 138966083
[(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10519626
[(3aS,6R,7S,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10543605
[(3aS,6S,7R,7aS)-6-methoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane
CID 10659956
[(3aS,6R,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10805534
[(3aS,6S,7S,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10853032
[(3aS,4S,7R,7aR)-4-methoxy-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-trimethylsilane
CID 15478672

Frequently Asked Questions

What is the IUPAC name of [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane?
The IUPAC name of [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane (CID 10590499) is [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane.
What is the SMILES notation for [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane?
The canonical SMILES for [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)O[C@H]1[C@@H](OC)OC[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane?
The InChIKey is HVWZUGFQRLYRRD-RVMXOQNASA-N. The full InChI is InChI=1S/C14H26O5Si/c1-7-8-20(5,6)19-12-11-10(9-16-13(12)15-4)17-14(2,3)18-11/h7,10-13H,1,8-9H2,2-6H3/t10-,11-,12+,13-/m0/s1.
What are the key properties of [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane?
[(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane has a molecular weight of 302.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 10590499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).