ethyl(heptyl)phosphane

C9H21P — CID 24975693

IUPACethyl(heptyl)phosphane
SMILESCCCCCCCPCC
InChIInChI=1S/C9H21P/c1-3-5-6-7-8-9-10-4-2/h10H,3-9H2,1-2H3
InChIKeyHWNSYAZDTVGREQ-UHFFFAOYSA-N
MW160.24 g/mol
LogP3.66
Rot. Bonds7

About ethyl(heptyl)phosphane

ethyl(heptyl)phosphane (PubChem CID 24975693) has the molecular formula C9H21P and a molecular weight of 160.24 g/mol. Its IUPAC name is ethyl(heptyl)phosphane.

Molecular Properties

Compound Nameethyl(heptyl)phosphane
PubChem CID24975693
Molecular FormulaC9H21P
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Nameethyl(heptyl)phosphane
SMILESCCCCCCCPCC
InChIInChI=1S/C9H21P/c1-3-5-6-7-8-9-10-4-2/h10H,3-9H2,1-2H3
InChIKeyHWNSYAZDTVGREQ-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 ethyl(heptyl)phosphane?
The IUPAC name of ethyl(heptyl)phosphane (CID 24975693) is ethyl(heptyl)phosphane.
What is the SMILES notation for ethyl(heptyl)phosphane?
The canonical SMILES for ethyl(heptyl)phosphane is CCCCCCCPCC.
What is the InChIKey of ethyl(heptyl)phosphane?
The InChIKey is HWNSYAZDTVGREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21P/c1-3-5-6-7-8-9-10-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl(heptyl)phosphane?
ethyl(heptyl)phosphane has a molecular weight of 160.24 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(heptyl)phosphane is sourced from PubChem (CID 24975693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).