tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane

C18H36OSi — CID 57332271

IUPACtert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C1CCCCCC1
InChIInChI=1S/C18H36OSi/c1-18(2,3)20(4,5)19-16-12-8-11-15-17-13-9-6-7-10-14-17/h11,15,17H,6-10,12-14,16H2,1-5H3/b15-11+
InChIKeyNWLVCKVFGPWVDD-RVDMUPIBSA-N
MW296.57 g/mol
LogP6.32
Rot. Bonds6

About tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane

tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane (PubChem CID 57332271) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane
PubChem CID57332271
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C1CCCCCC1
InChIInChI=1S/C18H36OSi/c1-18(2,3)20(4,5)19-16-12-8-11-15-17-13-9-6-7-10-14-17/h11,15,17H,6-10,12-14,16H2,1-5H3/b15-11+
InChIKeyNWLVCKVFGPWVDD-RVDMUPIBSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
tert-butyl-[(E,2R)-5-[(1R)-cyclohept-2-en-1-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 122224590
(5aS,8S)-1,1,8-trimethyl-4,5,5a,8,9,9a-hexahydro-3H-2,1-benzoxasilepine
CID 134889206
triethyl-[(1Z,4E)-4-ethyl-3-propylhepta-1,4-dienoxy]silane
CID 135002116
tert-butyl-[(E,2S,3S,7S)-3,7-dimethylpentadec-5-en-2-yl]oxy-dimethylsilane
CID 139252725
(S,e)-t-butyl(dimethyl)[(13-methylheptadec-10-en-1-yl)oxy]silane
CID 146679946
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2Z)-, tert-butyldimethylsilyl ether
CID 91697215
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2E)-, tert-butyldimethylsilyl ether
CID 91697372
tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane
CID 101186809
3-(5-[(1,1-Dimethylethyl)dimethylsiloxy]pent-1-yl)cyclopentene
CID 13924073
Tert-butyl-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-dimethylsilane
CID 13924074
3-(3-[(1,1-Dimethylethyl)dimethylsiloxy]pent-1-yl)cyclopentene
CID 13924076

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane (CID 57332271) is tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC/C=C/C1CCCCCC1.
What is the InChIKey of tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane?
The InChIKey is NWLVCKVFGPWVDD-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H36OSi/c1-18(2,3)20(4,5)19-16-12-8-11-15-17-13-9-6-7-10-14-17/h11,15,17H,6-10,12-14,16H2,1-5H3/b15-11+.
What are the key properties of tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane has a molecular weight of 296.57 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-cycloheptylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 57332271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).