(4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane

C16H32O2Si — CID 134901222

IUPAC(4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane
SMILESC=CC[C@H]1C[C@@H](CCCC)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C16H32O2Si/c1-7-9-11-16-12-15(10-8-2)17-19(18-16,13(3)4)14(5)6/h8,13-16H,2,7,9-12H2,1,3-6H3/t15-,16+/m0/s1
InChIKeyMLWPWAMXQYBFOM-JKSUJKDBSA-N
MW284.52 g/mol
LogP5.19
Rot. Bonds7

About (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane

(4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane (PubChem CID 134901222) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name(4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane
PubChem CID134901222
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane
SMILESC=CC[C@H]1C[C@@H](CCCC)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C16H32O2Si/c1-7-9-11-16-12-15(10-8-2)17-19(18-16,13(3)4)14(5)6/h8,13-16H,2,7,9-12H2,1,3-6H3/t15-,16+/m0/s1
InChIKeyMLWPWAMXQYBFOM-JKSUJKDBSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane with MolForge

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Related Compounds

1-Triethylsilyloxyundec-10-ene
CID 568575
1-Fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane
CID 175115935
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
bis(Dec-9-en-1-yloxy)(dimethyl)silane
CID 91697227
Silane, dimethyl(but-3-enyloxy)decyloxy-
CID 91738209
Silane, dimethyl(but-3-enyloxy)undecyloxy-
CID 91739241
Silane, dimethyl(but-3-enyloxy)dodecyloxy-
CID 91740301
Silane, dimethyl(but-3-enyloxy)tridecyloxy-
CID 91741051
Silane, dimethyl(but-3-enyloxy)tetradecyloxy-
CID 91741645
Silane, dimethyl(but-3-enyloxy)pentadecyloxy-
CID 91742244
Silane, dimethyl(but-3-enyloxy)heptadecyloxy-
CID 91743373
Silane, dimethyl(but-3-enyloxy)octadecyloxy-
CID 91743802

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane?
The IUPAC name of (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane (CID 134901222) is (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane.
What is the SMILES notation for (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane?
The canonical SMILES for (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane is C=CC[C@H]1C[C@@H](CCCC)O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane?
The InChIKey is MLWPWAMXQYBFOM-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-9-11-16-12-15(10-8-2)17-19(18-16,13(3)4)14(5)6/h8,13-16H,2,7,9-12H2,1,3-6H3/t15-,16+/m0/s1.
What are the key properties of (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane?
(4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane has a molecular weight of 284.52 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-butyl-2,2-di(propan-2-yl)-6-prop-2-enyl-1,3,2-dioxasilinane is sourced from PubChem (CID 134901222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).