1-[tert-butyl(chloro)phosphoryl]-2-methylpropane

C8H18ClOP — CID 71563447

IUPAC1-[tert-butyl(chloro)phosphoryl]-2-methylpropane
SMILESCC(C)CP(=O)(Cl)C(C)(C)C
InChIInChI=1S/C8H18ClOP/c1-7(2)6-11(9,10)8(3,4)5/h7H,6H2,1-5H3
InChIKeyHJSOGJARQQVLPD-UHFFFAOYSA-N
MW196.66 g/mol
LogP3.96
Rot. Bonds2

About 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane

1-[tert-butyl(chloro)phosphoryl]-2-methylpropane (PubChem CID 71563447) has the molecular formula C8H18ClOP and a molecular weight of 196.66 g/mol. Its IUPAC name is 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane.

Molecular Properties

Compound Name1-[tert-butyl(chloro)phosphoryl]-2-methylpropane
PubChem CID71563447
Molecular FormulaC8H18ClOP
Molecular Weight196.66 g/mol
Exact Mass196.08
IUPAC Name1-[tert-butyl(chloro)phosphoryl]-2-methylpropane
SMILESCC(C)CP(=O)(Cl)C(C)(C)C
InChIInChI=1S/C8H18ClOP/c1-7(2)6-11(9,10)8(3,4)5/h7H,6H2,1-5H3
InChIKeyHJSOGJARQQVLPD-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl(diethoxymethyl)phosphoryl]-2-methylpropane
CID 19938716
bis(2-methylpropyl)phosphinic acid
CID 10233207
tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane
CID 176884398
sodium methyl(2-methylpropyl)phosphinate
CID 141477458
bis[(2S)-2,4,4-trimethylpentyl]phosphinate
CID 86306261
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
CID 158213950
N-[bis(2-methylpropyl)phosphoryl]propan-2-amine
CID 157116436
1-[1,1-diethoxyethyl(ethoxy)phosphoryl]-2-methylpropane
CID 10468119
[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183894
copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
tris(1-[bis(2-methylpropyl)phosphoryl]-2-methylpropane);holmium(3+);trinitrate
CID 139045509
methoxy(2-methylpropyl)phosphinic acid
CID 54548928

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane?
The IUPAC name of 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane (CID 71563447) is 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane.
What is the SMILES notation for 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane?
The canonical SMILES for 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane is CC(C)CP(=O)(Cl)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane?
The InChIKey is HJSOGJARQQVLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClOP/c1-7(2)6-11(9,10)8(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane?
1-[tert-butyl(chloro)phosphoryl]-2-methylpropane has a molecular weight of 196.66 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(chloro)phosphoryl]-2-methylpropane is sourced from PubChem (CID 71563447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).