1-di(propan-2-yl)phosphorylpentane

C11H25OP — CID 118023238

IUPAC1-di(propan-2-yl)phosphorylpentane
SMILESCCCCCP(=O)(C(C)C)C(C)C
InChIInChI=1S/C11H25OP/c1-6-7-8-9-13(12,10(2)3)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyGBKFUAHGIDAQFG-UHFFFAOYSA-N
MW204.29 g/mol
LogP4.36
Rot. Bonds6

About 1-di(propan-2-yl)phosphorylpentane

1-di(propan-2-yl)phosphorylpentane (PubChem CID 118023238) has the molecular formula C11H25OP and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-di(propan-2-yl)phosphorylpentane.

Molecular Properties

Compound Name1-di(propan-2-yl)phosphorylpentane
PubChem CID118023238
Molecular FormulaC11H25OP
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name1-di(propan-2-yl)phosphorylpentane
SMILESCCCCCP(=O)(C(C)C)C(C)C
InChIInChI=1S/C11H25OP/c1-6-7-8-9-13(12,10(2)3)11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyGBKFUAHGIDAQFG-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yl)phosphorylpentane?
The IUPAC name of 1-di(propan-2-yl)phosphorylpentane (CID 118023238) is 1-di(propan-2-yl)phosphorylpentane.
What is the SMILES notation for 1-di(propan-2-yl)phosphorylpentane?
The canonical SMILES for 1-di(propan-2-yl)phosphorylpentane is CCCCCP(=O)(C(C)C)C(C)C.
What is the InChIKey of 1-di(propan-2-yl)phosphorylpentane?
The InChIKey is GBKFUAHGIDAQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25OP/c1-6-7-8-9-13(12,10(2)3)11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-di(propan-2-yl)phosphorylpentane?
1-di(propan-2-yl)phosphorylpentane has a molecular weight of 204.29 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yl)phosphorylpentane is sourced from PubChem (CID 118023238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).