hept-1-ynylphosphane

C7H13P — CID 21095524

IUPAChept-1-ynylphosphane
SMILESCCCCCC#CP
InChIInChI=1S/C7H13P/c1-2-3-4-5-6-7-8/h2-5,8H2,1H3
InChIKeyYKAQTSPQGUYENC-UHFFFAOYSA-N
MW128.16 g/mol
LogP2.40
Rot. Bonds3

About hept-1-ynylphosphane

hept-1-ynylphosphane (PubChem CID 21095524) has the molecular formula C7H13P and a molecular weight of 128.16 g/mol. Its IUPAC name is hept-1-ynylphosphane.

Molecular Properties

Compound Namehept-1-ynylphosphane
PubChem CID21095524
Molecular FormulaC7H13P
Molecular Weight128.16 g/mol
Exact Mass128.08
IUPAC Namehept-1-ynylphosphane
SMILESCCCCCC#CP
InChIInChI=1S/C7H13P/c1-2-3-4-5-6-7-8/h2-5,8H2,1H3
InChIKeyYKAQTSPQGUYENC-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.16
LogP ≤ 52.40
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hept-1-ynylphosphane?
The IUPAC name of hept-1-ynylphosphane (CID 21095524) is hept-1-ynylphosphane.
What is the SMILES notation for hept-1-ynylphosphane?
The canonical SMILES for hept-1-ynylphosphane is CCCCCC#CP.
What is the InChIKey of hept-1-ynylphosphane?
The InChIKey is YKAQTSPQGUYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13P/c1-2-3-4-5-6-7-8/h2-5,8H2,1H3.
What are the key properties of hept-1-ynylphosphane?
hept-1-ynylphosphane has a molecular weight of 128.16 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-ynylphosphane is sourced from PubChem (CID 21095524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).