ethane;7-phosphabicyclo[4.1.0]heptane

C8H17P — CID 145063306

IUPACethane;7-phosphabicyclo[4.1.0]heptane
SMILESC1CCC2PC2C1.CC
InChIInChI=1S/C6H11P.C2H6/c1-2-4-6-5(3-1)7-6;1-2/h5-7H,1-4H2;1-2H3
InChIKeyVOZTZVZFWKRHMB-UHFFFAOYSA-N
MW144.20 g/mol
LogP3.02
Rot. Bonds

About ethane;7-phosphabicyclo[4.1.0]heptane

ethane;7-phosphabicyclo[4.1.0]heptane (PubChem CID 145063306) has the molecular formula C8H17P and a molecular weight of 144.20 g/mol. Its IUPAC name is ethane;7-phosphabicyclo[4.1.0]heptane.

Molecular Properties

Compound Nameethane;7-phosphabicyclo[4.1.0]heptane
PubChem CID145063306
Molecular FormulaC8H17P
Molecular Weight144.20 g/mol
Exact Mass144.11
IUPAC Nameethane;7-phosphabicyclo[4.1.0]heptane
SMILESC1CCC2PC2C1.CC
InChIInChI=1S/C6H11P.C2H6/c1-2-4-6-5(3-1)7-6;1-2/h5-7H,1-4H2;1-2H3
InChIKeyVOZTZVZFWKRHMB-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 53.02
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

N-cyclohexylcyclohexanamine;ethane
CID 67925930
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
ethane;methylcyclohexane;dihydrate
CID 144526565
(2S,6R)-2,6-dimethylphosphinane
CID 101264634
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
methylcyclopentane
CID 7296
cyclobutane;ethane;methylcyclopropane
CID 143875535

Frequently Asked Questions

What is the IUPAC name of ethane;7-phosphabicyclo[4.1.0]heptane?
The IUPAC name of ethane;7-phosphabicyclo[4.1.0]heptane (CID 145063306) is ethane;7-phosphabicyclo[4.1.0]heptane.
What is the SMILES notation for ethane;7-phosphabicyclo[4.1.0]heptane?
The canonical SMILES for ethane;7-phosphabicyclo[4.1.0]heptane is C1CCC2PC2C1.CC.
What is the InChIKey of ethane;7-phosphabicyclo[4.1.0]heptane?
The InChIKey is VOZTZVZFWKRHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11P.C2H6/c1-2-4-6-5(3-1)7-6;1-2/h5-7H,1-4H2;1-2H3.
What are the key properties of ethane;7-phosphabicyclo[4.1.0]heptane?
ethane;7-phosphabicyclo[4.1.0]heptane has a molecular weight of 144.20 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-phosphabicyclo[4.1.0]heptane is sourced from PubChem (CID 145063306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).