(4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane

C19H38O2Si — CID 100957066

IUPAC(4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane
SMILESC/C=C/[C@@]1(OCC)O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C19H38O2Si/c1-11-13-19(20-12-2)16(15(3)4)14-22(21-19,17(5,6)7)18(8,9)10/h11,13,15-16H,12,14H2,1-10H3/b13-11+/t16-,19-/m1/s1
InChIKeyMLFVPGIMSKORDN-VAEPDLKGSA-N
MW326.60 g/mol
LogP6.14
Rot. Bonds4

About (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane

(4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane (PubChem CID 100957066) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane.

Molecular Properties

Compound Name(4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane
PubChem CID100957066
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane
SMILESC/C=C/[C@@]1(OCC)O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C
InChIInChI=1S/C19H38O2Si/c1-11-13-19(20-12-2)16(15(3)4)14-22(21-19,17(5,6)7)18(8,9)10/h11,13,15-16H,12,14H2,1-10H3/b13-11+/t16-,19-/m1/s1
InChIKeyMLFVPGIMSKORDN-VAEPDLKGSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.14
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'}

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Related Compounds

[(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane
CID 11271968
[(E)-3-[(2S,3R,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane
CID 11294973
tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11406825
tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane
CID 101079232
tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane
CID 101079233
2-[(1S,2R)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane
CID 132821689
2-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]ethoxy-tert-butyl-dimethylsilane
CID 132821692
(4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(Z)-prop-1-enyl]oxasilolane
CID 177503853
(4R,5S)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(Z)-prop-1-enyl]oxasilolane
CID 177574917

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane?
The IUPAC name of (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane (CID 100957066) is (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane.
What is the SMILES notation for (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane?
The canonical SMILES for (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane is C/C=C/[C@@]1(OCC)O[Si](C(C)(C)C)(C(C)(C)C)C[C@@H]1C(C)C.
What is the InChIKey of (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane?
The InChIKey is MLFVPGIMSKORDN-VAEPDLKGSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-11-13-19(20-12-2)16(15(3)4)14-22(21-19,17(5,6)7)18(8,9)10/h11,13,15-16H,12,14H2,1-10H3/b13-11+/t16-,19-/m1/s1.
What are the key properties of (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane?
(4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane has a molecular weight of 326.60 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-ditert-butyl-5-ethoxy-4-propan-2-yl-5-[(E)-prop-1-enyl]oxasilolane is sourced from PubChem (CID 100957066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).