bis(2-methylpropyl)alumane;tricyclohexylphosphane

C26H52AlP — CID 159231052

IUPACbis(2-methylpropyl)alumane;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC(C)C[AlH]CC(C)C
InChIInChI=1S/C18H33P.2C4H9.Al.H/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-4(2)3;;/h16-18H,1-15H2;2*4H,1H2,2-3H3;;
InChIKeyFALNIKPXTYBLCV-UHFFFAOYSA-N
MW422.66 g/mol
LogP9.04
Rot. Bonds7

About bis(2-methylpropyl)alumane;tricyclohexylphosphane

bis(2-methylpropyl)alumane;tricyclohexylphosphane (PubChem CID 159231052) has the molecular formula C26H52AlP and a molecular weight of 422.66 g/mol. Its IUPAC name is bis(2-methylpropyl)alumane;tricyclohexylphosphane.

Molecular Properties

Compound Namebis(2-methylpropyl)alumane;tricyclohexylphosphane
PubChem CID159231052
Molecular FormulaC26H52AlP
Molecular Weight422.66 g/mol
Exact Mass422.36
IUPAC Namebis(2-methylpropyl)alumane;tricyclohexylphosphane
SMILESC1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC(C)C[AlH]CC(C)C
InChIInChI=1S/C18H33P.2C4H9.Al.H/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-4(2)3;;/h16-18H,1-15H2;2*4H,1H2,2-3H3;;
InChIKeyFALNIKPXTYBLCV-UHFFFAOYSA-N
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumane;tricyclohexylphosphane?
The IUPAC name of bis(2-methylpropyl)alumane;tricyclohexylphosphane (CID 159231052) is bis(2-methylpropyl)alumane;tricyclohexylphosphane.
What is the SMILES notation for bis(2-methylpropyl)alumane;tricyclohexylphosphane?
The canonical SMILES for bis(2-methylpropyl)alumane;tricyclohexylphosphane is C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC(C)C[AlH]CC(C)C.
What is the InChIKey of bis(2-methylpropyl)alumane;tricyclohexylphosphane?
The InChIKey is FALNIKPXTYBLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33P.2C4H9.Al.H/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-4(2)3;;/h16-18H,1-15H2;2*4H,1H2,2-3H3;;.
What are the key properties of bis(2-methylpropyl)alumane;tricyclohexylphosphane?
bis(2-methylpropyl)alumane;tricyclohexylphosphane has a molecular weight of 422.66 g/mol, XLogP of 9.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumane;tricyclohexylphosphane is sourced from PubChem (CID 159231052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).