tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane

C14H26ClP — CID 546034

IUPACtert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
SMILESCC(C)(C)P(Cl)C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H26ClP/c1-12(2,3)16(15)11-9-10-7-8-14(11,6)13(10,4)5/h10-11H,7-9H2,1-6H3
InChIKeyQUOPLRJYJHPTOQ-UHFFFAOYSA-N
MW260.79 g/mol
LogP5.64
Rot. Bonds1

About tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane

tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane (PubChem CID 546034) has the molecular formula C14H26ClP and a molecular weight of 260.79 g/mol. Its IUPAC name is tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane.

Molecular Properties

Compound Nametert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
PubChem CID546034
Molecular FormulaC14H26ClP
Molecular Weight260.79 g/mol
Exact Mass260.15
IUPAC Nametert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
SMILESCC(C)(C)P(Cl)C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H26ClP/c1-12(2,3)16(15)11-9-10-7-8-14(11,6)13(10,4)5/h10-11H,7-9H2,1-6H3
InChIKeyQUOPLRJYJHPTOQ-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.79
LogP ≤ 55.64
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 tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane?
The IUPAC name of tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane (CID 546034) is tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane.
What is the SMILES notation for tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane?
The canonical SMILES for tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane is CC(C)(C)P(Cl)C1CC2CCC1(C)C2(C)C.
What is the InChIKey of tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane?
The InChIKey is QUOPLRJYJHPTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClP/c1-12(2,3)16(15)11-9-10-7-8-14(11,6)13(10,4)5/h10-11H,7-9H2,1-6H3.
What are the key properties of tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane?
tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane has a molecular weight of 260.79 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane is sourced from PubChem (CID 546034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).