(7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine

C12H22OSi — CID 135000046

IUPAC(7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine
SMILESC/C=C(\C)[C@@H]1OC[Si](C)(C)CC=C1C
InChIInChI=1S/C12H22OSi/c1-6-10(2)12-11(3)7-8-14(4,5)9-13-12/h6-7,12H,8-9H2,1-5H3/b10-6+/t12-/m0/s1
InChIKeyBPDTXVGUGRYJKJ-JXPAYYINSA-N
MW210.39 g/mol
LogP3.55
Rot. Bonds1

About (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine

(7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine (PubChem CID 135000046) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine.

Molecular Properties

Compound Name(7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine
PubChem CID135000046
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name(7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine
SMILESC/C=C(\C)[C@@H]1OC[Si](C)(C)CC=C1C
InChIInChI=1S/C12H22OSi/c1-6-10(2)12-11(3)7-8-14(4,5)9-13-12/h6-7,12H,8-9H2,1-5H3/b10-6+/t12-/m0/s1
InChIKeyBPDTXVGUGRYJKJ-JXPAYYINSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine with MolForge

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Launch Full Analysis

Related Compounds

Ctk0J4668
CID 11106001
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 135063549
tert-butyl-[(2Z)-4-methoxy-6-methylhepta-2,5-dienoxy]-dimethylsilane
CID 11572572
(6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 11651317
Trimethyl-(2-methyl-5-propyl-2,5-dihydrofuran-3-yl)silane
CID 13567510
Trimethyl-(2-propan-2-yl-5-propyl-2,5-dihydrofuran-3-yl)silane
CID 13567511
2,2,5-Trimethyl-6-prop-1-en-2-yl-3,6-dihydrooxasiline
CID 22948205
6-But-2-en-2-yl-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 73042616
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxymethyl-dimethyl-prop-2-enylsilane
CID 101393439
[(Z,2R)-hept-3-en-2-yl]oxymethyl-trimethylsilane
CID 134862038
7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine
CID 135063199

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine?
The IUPAC name of (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine (CID 135000046) is (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine.
What is the SMILES notation for (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine?
The canonical SMILES for (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine is C/C=C(\C)[C@@H]1OC[Si](C)(C)CC=C1C.
What is the InChIKey of (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine?
The InChIKey is BPDTXVGUGRYJKJ-JXPAYYINSA-N. The full InChI is InChI=1S/C12H22OSi/c1-6-10(2)12-11(3)7-8-14(4,5)9-13-12/h6-7,12H,8-9H2,1-5H3/b10-6+/t12-/m0/s1.
What are the key properties of (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine?
(7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine has a molecular weight of 210.39 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-4,7-dihydro-2H-1,3-oxasilepine is sourced from PubChem (CID 135000046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).