butyl(ditert-butyl)phosphane

C12H27P — CID 12603441

IUPACbutyl(ditert-butyl)phosphane
SMILESCCCCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27P/c1-8-9-10-13(11(2,3)4)12(5,6)7/h8-10H2,1-7H3
InChIKeyJFKBSRFAWDZHEK-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.87
Rot. Bonds3

About butyl(ditert-butyl)phosphane

butyl(ditert-butyl)phosphane (PubChem CID 12603441) has the molecular formula C12H27P and a molecular weight of 202.32 g/mol. Its IUPAC name is butyl(ditert-butyl)phosphane.

Molecular Properties

Compound Namebutyl(ditert-butyl)phosphane
PubChem CID12603441
Molecular FormulaC12H27P
Molecular Weight202.32 g/mol
Exact Mass202.19
IUPAC Namebutyl(ditert-butyl)phosphane
SMILESCCCCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27P/c1-8-9-10-13(11(2,3)4)12(5,6)7/h8-10H2,1-7H3
InChIKeyJFKBSRFAWDZHEK-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.87
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 butyl(ditert-butyl)phosphane?
The IUPAC name of butyl(ditert-butyl)phosphane (CID 12603441) is butyl(ditert-butyl)phosphane.
What is the SMILES notation for butyl(ditert-butyl)phosphane?
The canonical SMILES for butyl(ditert-butyl)phosphane is CCCCP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of butyl(ditert-butyl)phosphane?
The InChIKey is JFKBSRFAWDZHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P/c1-8-9-10-13(11(2,3)4)12(5,6)7/h8-10H2,1-7H3.
What are the key properties of butyl(ditert-butyl)phosphane?
butyl(ditert-butyl)phosphane has a molecular weight of 202.32 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(ditert-butyl)phosphane is sourced from PubChem (CID 12603441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).