pentane;tritert-butylphosphane

C17H39P — CID 175086214

IUPACpentane;tritert-butylphosphane
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.CCCCC
InChIInChI=1S/C12H27P.C5H12/c1-10(2,3)13(11(4,5)6)12(7,8)9;1-3-5-4-2/h1-9H3;3-5H2,1-2H3
InChIKeyMEUYEPFNAMJWEK-UHFFFAOYSA-N
MW274.47 g/mol
LogP7.06
Rot. Bonds2

About pentane;tritert-butylphosphane

pentane;tritert-butylphosphane (PubChem CID 175086214) has the molecular formula C17H39P and a molecular weight of 274.47 g/mol. Its IUPAC name is pentane;tritert-butylphosphane.

Molecular Properties

Compound Namepentane;tritert-butylphosphane
PubChem CID175086214
Molecular FormulaC17H39P
Molecular Weight274.47 g/mol
Exact Mass274.28
IUPAC Namepentane;tritert-butylphosphane
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C.CCCCC
InChIInChI=1S/C12H27P.C5H12/c1-10(2,3)13(11(4,5)6)12(7,8)9;1-3-5-4-2/h1-9H3;3-5H2,1-2H3
InChIKeyMEUYEPFNAMJWEK-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.47
LogP ≤ 57.06
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

palladium;tritert-butylphosphane;bromide
CID 71317307
alumane;pentane
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CID 159411255
CID 159411255
pentane;propane
CID 91422342
hexadecakis(pentane);dihydrate
CID 173099119
zinc pentane
CID 19065630
pentane;rhodium
CID 173105348
CID 157215984
CID 157215984
pentane;stannane
CID 173279416
2,2-dimethylpropane;heptane
CID 144531055
2-methoxy-2-methylpropane;pentane
CID 22145886
ethene;pentane
CID 54525676

Frequently Asked Questions

What is the IUPAC name of pentane;tritert-butylphosphane?
The IUPAC name of pentane;tritert-butylphosphane (CID 175086214) is pentane;tritert-butylphosphane.
What is the SMILES notation for pentane;tritert-butylphosphane?
The canonical SMILES for pentane;tritert-butylphosphane is CC(C)(C)P(C(C)(C)C)C(C)(C)C.CCCCC.
What is the InChIKey of pentane;tritert-butylphosphane?
The InChIKey is MEUYEPFNAMJWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.C5H12/c1-10(2,3)13(11(4,5)6)12(7,8)9;1-3-5-4-2/h1-9H3;3-5H2,1-2H3.
What are the key properties of pentane;tritert-butylphosphane?
pentane;tritert-butylphosphane has a molecular weight of 274.47 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;tritert-butylphosphane is sourced from PubChem (CID 175086214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).