ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride

C13H30ClP — CID 172842550

IUPACditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride
SMILESCC(C)(C)CP(C(C)(C)C)C(C)(C)C.Cl
InChIInChI=1S/C13H29P.ClH/c1-11(2,3)10-14(12(4,5)6)13(7,8)9;/h10H2,1-9H3;1H
InChIKeyWZHVMTCTBGIBGJ-UHFFFAOYSA-N
MW252.81 g/mol
LogP5.53
Rot. Bonds1

About ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride

ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride (PubChem CID 172842550) has the molecular formula C13H30ClP and a molecular weight of 252.81 g/mol. Its IUPAC name is ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride.

Molecular Properties

Compound Nameditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride
PubChem CID172842550
Molecular FormulaC13H30ClP
Molecular Weight252.81 g/mol
Exact Mass252.18
IUPAC Nameditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride
SMILESCC(C)(C)CP(C(C)(C)C)C(C)(C)C.Cl
InChIInChI=1S/C13H29P.ClH/c1-11(2,3)10-14(12(4,5)6)13(7,8)9;/h10H2,1-9H3;1H
InChIKeyWZHVMTCTBGIBGJ-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.81
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride?
The IUPAC name of ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride (CID 172842550) is ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride.
What is the SMILES notation for ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride?
The canonical SMILES for ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride is CC(C)(C)CP(C(C)(C)C)C(C)(C)C.Cl.
What is the InChIKey of ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride?
The InChIKey is WZHVMTCTBGIBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29P.ClH/c1-11(2,3)10-14(12(4,5)6)13(7,8)9;/h10H2,1-9H3;1H.
What are the key properties of ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride?
ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(2,2-dimethylpropyl)phosphane;hydrochloride is sourced from PubChem (CID 172842550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).