(4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene

C15H28OSi — CID 134964192

IUPAC(4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@]12C=CCCC2
InChIInChI=1S/C15H28OSi/c1-13(2,3)17(14(4,5)6)15(12-16-17)10-8-7-9-11-15/h8,10H,7,9,11-12H2,1-6H3/t15-/m1/s1
InChIKeyKMANUSIFOVPXME-OAHLLOKOSA-N
MW252.47 g/mol
LogP5.04
Rot. Bonds

About (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene

(4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene (PubChem CID 134964192) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene.

Molecular Properties

Compound Name(4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene
PubChem CID134964192
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@]12C=CCCC2
InChIInChI=1S/C15H28OSi/c1-13(2,3)17(14(4,5)6)15(12-16-17)10-8-7-9-11-15/h8,10H,7,9,11-12H2,1-6H3/t15-/m1/s1
InChIKeyKMANUSIFOVPXME-OAHLLOKOSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.04
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'}

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Related Compounds

1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134889397
Cyclohex-2-en-1-ylmethoxy(trimethyl)silane
CID 69869534
tert-butyl-dimethyl-[(E,2S)-2-propylpent-3-enoxy]silane
CID 89163962
Cyclohex-3-en-1-ylmethoxy(triethyl)silane
CID 132498728
CID 21159493
CID 21159493
tert-Butyl{[(1R)-cyclohex-2-en-1-yl]methoxy}dimethylsilane
CID 71423922
Tert-butyl-(cyclohex-2-en-1-ylmethoxy)-dimethylsilane
CID 78068825

Frequently Asked Questions

What is the IUPAC name of (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene?
The IUPAC name of (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene (CID 134964192) is (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene.
What is the SMILES notation for (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene?
The canonical SMILES for (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene is CC(C)(C)[Si]1(C(C)(C)C)OC[C@]12C=CCCC2.
What is the InChIKey of (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene?
The InChIKey is KMANUSIFOVPXME-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28OSi/c1-13(2,3)17(14(4,5)6)15(12-16-17)10-8-7-9-11-15/h8,10H,7,9,11-12H2,1-6H3/t15-/m1/s1.
What are the key properties of (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene?
(4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene has a molecular weight of 252.47 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,1-ditert-butyl-2-oxa-1-silaspiro[3.5]non-5-ene is sourced from PubChem (CID 134964192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).