(E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane

C16H33BrOSi — CID 159252246

IUPAC(E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane
SMILESCCCCC/C=C/Br.CCCCC/C=C/[Si](C)(C)O
InChIInChI=1S/C9H20OSi.C7H13Br/c1-4-5-6-7-8-9-11(2,3)10;1-2-3-4-5-6-7-8/h8-10H,4-7H2,1-3H3;6-7H,2-5H2,1H3/b9-8+;7-6+
InChIKeyKVLFINTTXPAMCJ-VKVHLROJSA-N
MW349.43 g/mol
LogP6.33
Rot. Bonds9

About (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane

(E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane (PubChem CID 159252246) has the molecular formula C16H33BrOSi and a molecular weight of 349.43 g/mol. Its IUPAC name is (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane.

Molecular Properties

Compound Name(E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane
PubChem CID159252246
Molecular FormulaC16H33BrOSi
Molecular Weight349.43 g/mol
Exact Mass348.15
IUPAC Name(E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane
SMILESCCCCC/C=C/Br.CCCCC/C=C/[Si](C)(C)O
InChIInChI=1S/C9H20OSi.C7H13Br/c1-4-5-6-7-8-9-11(2,3)10;1-2-3-4-5-6-7-8/h8-10H,4-7H2,1-3H3;6-7H,2-5H2,1H3/b9-8+;7-6+
InChIKeyKVLFINTTXPAMCJ-VKVHLROJSA-N
XLogP6.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hept-1-enyl(trimethyl)silane
CID 13211450
(E)-1-bromohex-1-ene
CID 5362769
chloro-hept-1-enyl-dimethylsilane
CID 139705135
dimethyl-propyl-[(E)-tetradec-1-enyl]silane
CID 102081900
methyl-oct-1-enyl-dioctylsilane
CID 173411887
[(E)-dec-1-enyl]-methyl-nonyl-octylsilane
CID 173411894
trichloro-[(E)-dec-1-enyl]silane
CID 87266955
1-bromotrideca-1,3-diene
CID 54061317
docos-1-enyl-dimethoxy-methylsilane
CID 139933464
dimethoxy-methyl-undec-1-enylsilane
CID 91578863
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane?
The IUPAC name of (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane (CID 159252246) is (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane.
What is the SMILES notation for (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane?
The canonical SMILES for (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane is CCCCC/C=C/Br.CCCCC/C=C/[Si](C)(C)O.
What is the InChIKey of (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane?
The InChIKey is KVLFINTTXPAMCJ-VKVHLROJSA-N. The full InChI is InChI=1S/C9H20OSi.C7H13Br/c1-4-5-6-7-8-9-11(2,3)10;1-2-3-4-5-6-7-8/h8-10H,4-7H2,1-3H3;6-7H,2-5H2,1H3/b9-8+;7-6+.
What are the key properties of (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane?
(E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane has a molecular weight of 349.43 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromohept-1-ene;[(E)-hept-1-enyl]-hydroxy-dimethylsilane is sourced from PubChem (CID 159252246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).