[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

C19H38O3Si — CID 11302310

IUPAC[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESC=CC[C@@H]1C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O1
InChIInChI=1S/C19H38O3Si/c1-10-11-17-12-18(22-19(8,9)21-17)13-20-23(14(2)3,15(4)5)16(6)7/h10,14-18H,1,11-13H2,2-9H3/t17-,18+/m1/s1
InChIKeyOORKKFWNIHROTD-MSOLQXFVSA-N
MW342.60 g/mol
LogP5.66
Rot. Bonds8

About [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 11302310) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
PubChem CID11302310
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Name[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESC=CC[C@@H]1C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O1
InChIInChI=1S/C19H38O3Si/c1-10-11-17-12-18(22-19(8,9)21-17)13-20-23(14(2)3,15(4)5)16(6)7/h10,14-18H,1,11-13H2,2-9H3/t17-,18+/m1/s1
InChIKeyOORKKFWNIHROTD-MSOLQXFVSA-N
XLogP5.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (CID 11302310) is [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is C=CC[C@@H]1C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O1.
What is the InChIKey of [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is OORKKFWNIHROTD-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-11-17-12-18(22-19(8,9)21-17)13-20-23(14(2)3,15(4)5)16(6)7/h10,14-18H,1,11-13H2,2-9H3/t17-,18+/m1/s1.
What are the key properties of [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 342.60 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11302310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).