2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane

C18H35B — CID 12567889

IUPAC2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane
SMILESCC(C)C(C)B(CCC1CC=CCC1)C(C)C(C)C
InChIInChI=1S/C18H35B/c1-14(2)16(5)19(17(6)15(3)4)13-12-18-10-8-7-9-11-18/h7-8,14-18H,9-13H2,1-6H3
InChIKeyVJRMTNXZUHESOW-UHFFFAOYSA-N
MW262.29 g/mol
LogP6.32
Rot. Bonds7

About 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane

2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane (PubChem CID 12567889) has the molecular formula C18H35B and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane
PubChem CID12567889
Molecular FormulaC18H35B
Molecular Weight262.29 g/mol
Exact Mass262.28
IUPAC Name2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane
SMILESCC(C)C(C)B(CCC1CC=CCC1)C(C)C(C)C
InChIInChI=1S/C18H35B/c1-14(2)16(5)19(17(6)15(3)4)13-12-18-10-8-7-9-11-18/h7-8,14-18H,9-13H2,1-6H3
InChIKeyVJRMTNXZUHESOW-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.29
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

4-Ethylcyclohex-1-ene
CID 138037
3,5-Dimethylcyclohexene
CID 143321
4-Isopropylcyclohexene
CID 525578
(4E)-7-methyldec-4-ene
CID 5363240
Cyclohexene, 3-(1-hexenyl)-, (E)-
CID 5358331
3,5-Dimethyl-1-cyclohexene, trans
CID 57350972
Cyclohexene, 4-propyl-
CID 518777
4-Decene, 8-methyl-, (E)-
CID 5352803
(5Z)-9-Methyl-5-undecene
CID 5366159
(6E,10Z,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene
CID 162872637
(6E,10E,13E,14R)-2,6,10,14,18-pentamethyl-13-[(3S)-3-methylpent-4-enylidene]nonadeca-2,6,10,17-tetraene
CID 162872638
(6Z,9E,10R)-2,6,10,14-tetramethyl-9-[(3S)-3-methylpent-4-enylidene]pentadeca-2,6,13-triene
CID 162978169

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane?
The IUPAC name of 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane (CID 12567889) is 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane is CC(C)C(C)B(CCC1CC=CCC1)C(C)C(C)C.
What is the InChIKey of 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane?
The InChIKey is VJRMTNXZUHESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35B/c1-14(2)16(5)19(17(6)15(3)4)13-12-18-10-8-7-9-11-18/h7-8,14-18H,9-13H2,1-6H3.
What are the key properties of 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane?
2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane has a molecular weight of 262.29 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-ylethyl-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 12567889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).