2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane

C19H35BrO2Si — CID 59027010

IUPAC2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)CCC[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H35BrO2Si/c1-16(15-20)9-7-10-17-11-8-12-18(22-17)13-14-21-23(5,6)19(2,3)4/h8,12,17-18H,1,7,9-11,13-15H2,2-6H3/t17-,18+/m1/s1
InChIKeyLGZVRZGLVCSQHZ-MSOLQXFVSA-N
MW403.48 g/mol
LogP6.23
Rot. Bonds9

About 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane

2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 59027010) has the molecular formula C19H35BrO2Si and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID59027010
Molecular FormulaC19H35BrO2Si
Molecular Weight403.48 g/mol
Exact Mass402.16
IUPAC Name2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)CCC[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H35BrO2Si/c1-16(15-20)9-7-10-17-11-8-12-18(22-17)13-14-21-23(5,6)19(2,3)4/h8,12,17-18H,1,7,9-11,13-15H2,2-6H3/t17-,18+/m1/s1
InChIKeyLGZVRZGLVCSQHZ-MSOLQXFVSA-N
XLogP6.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane (CID 59027010) is 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane is C=C(CBr)CCC[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is LGZVRZGLVCSQHZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H35BrO2Si/c1-16(15-20)9-7-10-17-11-8-12-18(22-17)13-14-21-23(5,6)19(2,3)4/h8,12,17-18H,1,7,9-11,13-15H2,2-6H3/t17-,18+/m1/s1.
What are the key properties of 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?
2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 403.48 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2-[4-(bromomethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 59027010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).