2-[tert-butyl(methyl)phosphanyl]ethanol

C7H17OP — CID 87760818

IUPAC2-[tert-butyl(methyl)phosphanyl]ethanol
SMILESC[P@@](CCO)C(C)(C)C
InChIInChI=1S/C7H17OP/c1-7(2,3)9(4)6-5-8/h8H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyVVZLRWNOZJKUOQ-VIFPVBQESA-N
MW148.19 g/mol
LogP1.89
Rot. Bonds2

About 2-[tert-butyl(methyl)phosphanyl]ethanol

2-[tert-butyl(methyl)phosphanyl]ethanol (PubChem CID 87760818) has the molecular formula C7H17OP and a molecular weight of 148.19 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)phosphanyl]ethanol.

Molecular Properties

Compound Name2-[tert-butyl(methyl)phosphanyl]ethanol
PubChem CID87760818
Molecular FormulaC7H17OP
Molecular Weight148.19 g/mol
Exact Mass148.10
IUPAC Name2-[tert-butyl(methyl)phosphanyl]ethanol
SMILESC[P@@](CCO)C(C)(C)C
InChIInChI=1S/C7H17OP/c1-7(2,3)9(4)6-5-8/h8H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyVVZLRWNOZJKUOQ-VIFPVBQESA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)phosphanyl]ethanol?
The IUPAC name of 2-[tert-butyl(methyl)phosphanyl]ethanol (CID 87760818) is 2-[tert-butyl(methyl)phosphanyl]ethanol.
What is the SMILES notation for 2-[tert-butyl(methyl)phosphanyl]ethanol?
The canonical SMILES for 2-[tert-butyl(methyl)phosphanyl]ethanol is C[P@@](CCO)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(methyl)phosphanyl]ethanol?
The InChIKey is VVZLRWNOZJKUOQ-VIFPVBQESA-N. The full InChI is InChI=1S/C7H17OP/c1-7(2,3)9(4)6-5-8/h8H,5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of 2-[tert-butyl(methyl)phosphanyl]ethanol?
2-[tert-butyl(methyl)phosphanyl]ethanol has a molecular weight of 148.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methyl)phosphanyl]ethanol is sourced from PubChem (CID 87760818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).