1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane

C16H29BrOSi — CID 11089260

IUPAC1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)C1=C(Br)CCCCC1
InChIInChI=1S/C16H29BrOSi/c1-7-15(18-19(5,6)16(2,3)4)13-11-9-8-10-12-14(13)17/h7,15H,1,8-12H2,2-6H3
InChIKeyLQKGJSJVDKLDQI-UHFFFAOYSA-N
MW345.40 g/mol
LogP6.18
Rot. Bonds4

About 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane

1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane (PubChem CID 11089260) has the molecular formula C16H29BrOSi and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane
PubChem CID11089260
Molecular FormulaC16H29BrOSi
Molecular Weight345.40 g/mol
Exact Mass344.12
IUPAC Name1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)C1=C(Br)CCCCC1
InChIInChI=1S/C16H29BrOSi/c1-7-15(18-19(5,6)16(2,3)4)13-11-9-8-10-12-14(13)17/h7,15H,1,8-12H2,2-6H3
InChIKeyLQKGJSJVDKLDQI-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 56.18
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

[(7E,11E)-13-bromo-7,11-dimethyltrideca-1,7,11-trien-3-yl]oxy-tert-butyl-dimethylsilane
CID 134953040
[3-(Bromomethyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 59262414
Tert-butyl-cycloundec-2-en-1-yloxy-dimethylsilane
CID 68818640
Tert-butyl-cyclododec-2-en-1-yloxy-dimethylsilane
CID 68819842
[(E)-1-bromonon-2-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 87228551
tert-butyl-[(2Z)-cycloundec-2-en-1-yl]oxy-dimethylsilane
CID 87587145
tert-butyl-[(2Z)-cyclododec-2-en-1-yl]oxy-dimethylsilane
CID 87587522
[(Z,5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948307
[(Z)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948308
[(5R)-18-bromooctadec-6-en-5-yl]oxy-tert-butyl-dimethylsilane
CID 90956271
1-Bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane
CID 91349302
[(Z)-1-bromonon-2-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 153833868

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane (CID 11089260) is 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane is C=CC(O[Si](C)(C)C(C)(C)C)C1=C(Br)CCCCC1.
What is the InChIKey of 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane?
The InChIKey is LQKGJSJVDKLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrOSi/c1-7-15(18-19(5,6)16(2,3)4)13-11-9-8-10-12-14(13)17/h7,15H,1,8-12H2,2-6H3.
What are the key properties of 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane?
1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane has a molecular weight of 345.40 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclohepten-1-yl)prop-2-enoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11089260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).