[(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane

C19H34BCl — CID 135048835

IUPAC[(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane
SMILESCCCC/C=C(\CCl)B(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H34BCl/c1-2-3-6-15-19(16-21)20(17-11-7-4-8-12-17)18-13-9-5-10-14-18/h15,17-18H,2-14,16H2,1H3/b19-15+
InChIKeyRMMFVVUKKDHLJJ-XDJHFCHBSA-N
MW308.75 g/mol
LogP7.04
Rot. Bonds7

About [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane

[(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane (PubChem CID 135048835) has the molecular formula C19H34BCl and a molecular weight of 308.75 g/mol. Its IUPAC name is [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane.

Molecular Properties

Compound Name[(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane
PubChem CID135048835
Molecular FormulaC19H34BCl
Molecular Weight308.75 g/mol
Exact Mass308.24
IUPAC Name[(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane
SMILESCCCC/C=C(\CCl)B(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H34BCl/c1-2-3-6-15-19(16-21)20(17-11-7-4-8-12-17)18-13-9-5-10-14-18/h15,17-18H,2-14,16H2,1H3/b19-15+
InChIKeyRMMFVVUKKDHLJJ-XDJHFCHBSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.75
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,2-dichlorohept-2-ene
CID 55302648
[(Z)-1,4-dichlorobut-2-en-2-yl]-bis[(1S,2S)-2-methylcyclohexyl]borane
CID 135048421
[(Z)-1-cyclohexylsulfanylhex-1-enyl]-bis(3-methylbutan-2-yl)borane
CID 134903837
2-(chloromethyl)hept-2-enoic acid
CID 57071249
butyl-cyclopentyl-methylborane
CID 173480770
(Z)-5-[(1R)-1-cyclohexylethyl]dec-5-en-2-one
CID 11097438
methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate
CID 102203796
2-butyl-2-cyclohexyl-3-pentylidenebutanedioic acid
CID 70925921
dichloro(pentylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 23531107
2-cyclopentyl-2-ethyl-3-pentylidenebutanedioic acid
CID 70869487
(E)-1-cyclohexylpent-1-en-1-ol
CID 142446276
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane?
The IUPAC name of [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane (CID 135048835) is [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane.
What is the SMILES notation for [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane?
The canonical SMILES for [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane is CCCC/C=C(\CCl)B(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane?
The InChIKey is RMMFVVUKKDHLJJ-XDJHFCHBSA-N. The full InChI is InChI=1S/C19H34BCl/c1-2-3-6-15-19(16-21)20(17-11-7-4-8-12-17)18-13-9-5-10-14-18/h15,17-18H,2-14,16H2,1H3/b19-15+.
What are the key properties of [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane?
[(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane has a molecular weight of 308.75 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-chlorohept-2-en-2-yl]-dicyclohexylborane is sourced from PubChem (CID 135048835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).