(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one

C14H26O3Si — CID 138976731

IUPAC(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1CCC=CC(=O)O1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)16-11-10-12-8-6-7-9-13(15)17-12/h7,9,12H,6,8,10-11H2,1-5H3/t12-/m0/s1
InChIKeyRWEGUBXILKCZHQ-LBPRGKRZSA-N
MW270.44 g/mol
LogP3.66
Rot. Bonds4

About (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one

(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one (PubChem CID 138976731) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one.

Molecular Properties

Compound Name(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one
PubChem CID138976731
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1CCC=CC(=O)O1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)16-11-10-12-8-6-7-9-13(15)17-12/h7,9,12H,6,8,10-11H2,1-5H3/t12-/m0/s1
InChIKeyRWEGUBXILKCZHQ-LBPRGKRZSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8-[tert-butyl(dimethyl)silyl]oxy-24-methyl-14,16-bis(triethylsilyloxy)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10974685

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one?
The IUPAC name of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one (CID 138976731) is (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one.
What is the SMILES notation for (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one?
The canonical SMILES for (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one is CC(C)(C)[Si](C)(C)OCC[C@@H]1CCC=CC(=O)O1.
What is the InChIKey of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one?
The InChIKey is RWEGUBXILKCZHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)16-11-10-12-8-6-7-9-13(15)17-12/h7,9,12H,6,8,10-11H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one?
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one has a molecular weight of 270.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one is sourced from PubChem (CID 138976731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).