2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane

C13H25P — CID 66992611

IUPAC2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane
SMILESCC(C)P(C(C)C)C1CC2CCC1C2
InChIInChI=1S/C13H25P/c1-9(2)14(10(3)4)13-8-11-5-6-12(13)7-11/h9-13H,5-8H2,1-4H3
InChIKeyPOFIJSGSZREBJH-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.47
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane

2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane (PubChem CID 66992611) has the molecular formula C13H25P and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane
PubChem CID66992611
Molecular FormulaC13H25P
Molecular Weight212.32 g/mol
Exact Mass212.17
IUPAC Name2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane
SMILESCC(C)P(C(C)C)C1CC2CCC1C2
InChIInChI=1S/C13H25P/c1-9(2)14(10(3)4)13-8-11-5-6-12(13)7-11/h9-13H,5-8H2,1-4H3
InChIKeyPOFIJSGSZREBJH-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.47
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

[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane
CID 124674169
[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane
CID 131858461
bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane
CID 54423756
bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane
CID 66992372
bis(2-bicyclo[2.2.1]heptanyl)-octylphosphane
CID 66992605
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpentan-1-amine
CID 63683470
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane (CID 66992611) is 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane is CC(C)P(C(C)C)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane?
The InChIKey is POFIJSGSZREBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25P/c1-9(2)14(10(3)4)13-8-11-5-6-12(13)7-11/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane?
2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane has a molecular weight of 212.32 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 66992611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).