2-methylbut-2-ene;tricyclohexylphosphane

C23H43P — CID 174792774

IUPAC2-methylbut-2-ene;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC=C(C)C
InChIInChI=1S/C18H33P.C5H10/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(2)3/h16-18H,1-15H2;4H,1-3H3
InChIKeyVQFCMIBBAZHGLU-UHFFFAOYSA-N
MW350.57 g/mol
LogP8.44
Rot. Bonds3

About 2-methylbut-2-ene;tricyclohexylphosphane

2-methylbut-2-ene;tricyclohexylphosphane (PubChem CID 174792774) has the molecular formula C23H43P and a molecular weight of 350.57 g/mol. Its IUPAC name is 2-methylbut-2-ene;tricyclohexylphosphane.

Molecular Properties

Compound Name2-methylbut-2-ene;tricyclohexylphosphane
PubChem CID174792774
Molecular FormulaC23H43P
Molecular Weight350.57 g/mol
Exact Mass350.31
IUPAC Name2-methylbut-2-ene;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC=C(C)C
InChIInChI=1S/C18H33P.C5H10/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(2)3/h16-18H,1-15H2;4H,1-3H3
InChIKeyVQFCMIBBAZHGLU-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylbut-2-ene;tricyclohexylphosphane?
The IUPAC name of 2-methylbut-2-ene;tricyclohexylphosphane (CID 174792774) is 2-methylbut-2-ene;tricyclohexylphosphane.
What is the SMILES notation for 2-methylbut-2-ene;tricyclohexylphosphane?
The canonical SMILES for 2-methylbut-2-ene;tricyclohexylphosphane is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC=C(C)C.
What is the InChIKey of 2-methylbut-2-ene;tricyclohexylphosphane?
The InChIKey is VQFCMIBBAZHGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33P.C5H10/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(2)3/h16-18H,1-15H2;4H,1-3H3.
What are the key properties of 2-methylbut-2-ene;tricyclohexylphosphane?
2-methylbut-2-ene;tricyclohexylphosphane has a molecular weight of 350.57 g/mol, XLogP of 8.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-2-ene;tricyclohexylphosphane is sourced from PubChem (CID 174792774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).