3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one

C26H52O4Si2 — CID 11386171

IUPAC3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one
SMILESCC(C)[Si](OC[C@H](CCC1=CC(=O)OC1)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H52O4Si2/c1-18(2)31(19(3)4,20(5)6)29-17-25(14-13-24-15-26(27)28-16-24)30-32(21(7)8,22(9)10)23(11)12/h15,18-23,25H,13-14,16-17H2,1-12H3/t25-/m0/s1
InChIKeyKXVALPJHAFPVHZ-VWLOTQADSA-N
MW484.87 g/mol
LogP8.00
Rot. Bonds14

About 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one

3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one (PubChem CID 11386171) has the molecular formula C26H52O4Si2 and a molecular weight of 484.87 g/mol. Its IUPAC name is 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one
PubChem CID11386171
Molecular FormulaC26H52O4Si2
Molecular Weight484.87 g/mol
Exact Mass484.34
IUPAC Name3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one
SMILESCC(C)[Si](OC[C@H](CCC1=CC(=O)OC1)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H52O4Si2/c1-18(2)31(19(3)4,20(5)6)29-17-25(14-13-24-15-26(27)28-16-24)30-32(21(7)8,22(9)10)23(11)12/h15,18-23,25H,13-14,16-17H2,1-12H3/t25-/m0/s1
InChIKeyKXVALPJHAFPVHZ-VWLOTQADSA-N
XLogP8.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.87
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one with MolForge

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Related Compounds

ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 9823928
ethyl (2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]acetate
CID 10983057
Ethyl (E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)acetate
CID 11080703
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-3-prop-2-enyl-2H-furan-5-one
CID 44817643
[(E,4S)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxy-3-iodooct-2-enyl] acetate
CID 46188085
ethyl (E,7R,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enoate
CID 101549967
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
CID 134846818
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enoate
CID 135012258
(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione
CID 138976732
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-6-(oxiran-2-yl)hex-2-enoate
CID 138984022
[(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate
CID 10917850
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 101659341

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one?
The IUPAC name of 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one (CID 11386171) is 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one?
The canonical SMILES for 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one is CC(C)[Si](OC[C@H](CCC1=CC(=O)OC1)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one?
The InChIKey is KXVALPJHAFPVHZ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H52O4Si2/c1-18(2)31(19(3)4,20(5)6)29-17-25(14-13-24-15-26(27)28-16-24)30-32(21(7)8,22(9)10)23(11)12/h15,18-23,25H,13-14,16-17H2,1-12H3/t25-/m0/s1.
What are the key properties of 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one?
3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one has a molecular weight of 484.87 g/mol, XLogP of 8.00, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3,4-bis[tri(propan-2-yl)silyloxy]butyl]-2H-furan-5-one is sourced from PubChem (CID 11386171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).