4-tert-butylphosphinane

C9H19P — CID 71329207

IUPAC4-tert-butylphosphinane
SMILESCC(C)(C)C1CCPCC1
InChIInChI=1S/C9H19P/c1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3
InChIKeyNWOINYSHUMQVQR-UHFFFAOYSA-N
MW158.22 g/mol
LogP3.12
Rot. Bonds

About 4-tert-butylphosphinane

4-tert-butylphosphinane (PubChem CID 71329207) has the molecular formula C9H19P and a molecular weight of 158.22 g/mol. Its IUPAC name is 4-tert-butylphosphinane.

Molecular Properties

Compound Name4-tert-butylphosphinane
PubChem CID71329207
Molecular FormulaC9H19P
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name4-tert-butylphosphinane
SMILESCC(C)(C)C1CCPCC1
InChIInChI=1S/C9H19P/c1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3
InChIKeyNWOINYSHUMQVQR-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.12
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

tert-butylcyclopentadecane
CID 164774831
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
CID 100975737
CID 100975737
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
4-tert-butyl-N-cyclopropylcyclohexan-1-amine
CID 16770515

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylphosphinane?
The IUPAC name of 4-tert-butylphosphinane (CID 71329207) is 4-tert-butylphosphinane.
What is the SMILES notation for 4-tert-butylphosphinane?
The canonical SMILES for 4-tert-butylphosphinane is CC(C)(C)C1CCPCC1.
What is the InChIKey of 4-tert-butylphosphinane?
The InChIKey is NWOINYSHUMQVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19P/c1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-tert-butylphosphinane?
4-tert-butylphosphinane has a molecular weight of 158.22 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylphosphinane is sourced from PubChem (CID 71329207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).