but-1-enyl(heptyl)phosphane

C11H23P — CID 173168219

IUPACbut-1-enyl(heptyl)phosphane
SMILESCCC=CPCCCCCCC
InChIInChI=1S/C11H23P/c1-3-5-7-8-9-11-12-10-6-4-2/h6,10,12H,3-5,7-9,11H2,1-2H3
InChIKeyKPFWVUDZLPZOCP-UHFFFAOYSA-N
MW186.28 g/mol
LogP4.56
Rot. Bonds8

About but-1-enyl(heptyl)phosphane

but-1-enyl(heptyl)phosphane (PubChem CID 173168219) has the molecular formula C11H23P and a molecular weight of 186.28 g/mol. Its IUPAC name is but-1-enyl(heptyl)phosphane.

Molecular Properties

Compound Namebut-1-enyl(heptyl)phosphane
PubChem CID173168219
Molecular FormulaC11H23P
Molecular Weight186.28 g/mol
Exact Mass186.15
IUPAC Namebut-1-enyl(heptyl)phosphane
SMILESCCC=CPCCCCCCC
InChIInChI=1S/C11H23P/c1-3-5-7-8-9-11-12-10-6-4-2/h6,10,12H,3-5,7-9,11H2,1-2H3
InChIKeyKPFWVUDZLPZOCP-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 54.56
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'}

Analyze but-1-enyl(heptyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hex-1-enyl(undecyl)phosphane
CID 90686757
but-1-enyl(propyl)phosphane
CID 173167950
pentylphosphanylformaldehyde
CID 88740069
hexadecyl(propyl)phosphane
CID 158670728
docosyl(docosylphosphanyl)phosphane
CID 21095052
octyl(pentylphosphanyl)phosphane
CID 21095189
decyl(undecyl)phosphane
CID 87830755
dodecyl(octyl)phosphane
CID 87829037
di(nonadecyl)phosphane
CID 87828565
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
(E)-nonacos-3-ene
CID 22172230
(Z)-tridec-3-ene
CID 5362711

Frequently Asked Questions

What is the IUPAC name of but-1-enyl(heptyl)phosphane?
The IUPAC name of but-1-enyl(heptyl)phosphane (CID 173168219) is but-1-enyl(heptyl)phosphane.
What is the SMILES notation for but-1-enyl(heptyl)phosphane?
The canonical SMILES for but-1-enyl(heptyl)phosphane is CCC=CPCCCCCCC.
What is the InChIKey of but-1-enyl(heptyl)phosphane?
The InChIKey is KPFWVUDZLPZOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23P/c1-3-5-7-8-9-11-12-10-6-4-2/h6,10,12H,3-5,7-9,11H2,1-2H3.
What are the key properties of but-1-enyl(heptyl)phosphane?
but-1-enyl(heptyl)phosphane has a molecular weight of 186.28 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl(heptyl)phosphane is sourced from PubChem (CID 173168219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).