[(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

C13H24O5Si — CID 15478672

IUPAC[(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
SMILESC=C1O[C@H](OC)[C@H]2OC(C)(C)O[C@H]2[C@H]1O[Si](C)(C)C
InChIInChI=1S/C13H24O5Si/c1-8-9(18-19(5,6)7)10-11(12(14-4)15-8)17-13(2,3)16-10/h9-12H,1H2,2-7H3/t9-,10-,11-,12-/m0/s1
InChIKeyCBBVICWIQXQYMQ-BJDJZHNGSA-N
MW288.42 g/mol
LogP2.24
Rot. Bonds3

About [(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

[(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 (PubChem CID 15478672) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID15478672
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name[(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
SMILESC=C1O[C@H](OC)[C@H]2OC(C)(C)O[C@H]2[C@H]1O[Si](C)(C)C
InChIInChI=1S/C13H24O5Si/c1-8-9(18-19(5,6)7)10-11(12(14-4)15-8)17-13(2,3)16-10/h9-12H,1H2,2-7H3/t9-,10-,11-,12-/m0/s1
InChIKeyCBBVICWIQXQYMQ-BJDJZHNGSA-N
XLogP2.24
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(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 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

1-O,2-O,3-O,4-O-Bis(1-methylethylidene)-6-deoxy-L-arabino-5-hexenopyranose
CID 10060280
(6R,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134830663
alpha-D-Galactohex-5-enopyranose, 1,2:3,4-di-O-isopropylidene-5,6-dideoxy-
CID 540048
[(2S,3S,4S,5S)-2-methoxy-6-methylidene-3,5-bis(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 11269385
[(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
[(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
(1S,2R,6S,9R)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 14259487
(1R,2S,6S,9S)-4,4,11,11-tetramethyl-8-methylidene-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 102092169
[(2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 102245628
tert-butyl-dimethyl-[(3S,4R,5R,6S)-4,5,6-trimethoxy-2-methylideneoxan-3-yl]oxysilane
CID 132581263

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C1O[C@H](OC)[C@H]2OC(C)(C)O[C@H]2[C@H]1O[Si](C)(C)C.
What is the InChIKey of [(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?
The InChIKey is CBBVICWIQXQYMQ-BJDJZHNGSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-8-9(18-19(5,6)7)10-11(12(14-4)15-8)17-13(2,3)16-10/h9-12H,1H2,2-7H3/t9-,10-,11-,12-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 288.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 15478672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).