hept-2-en-3-ylphosphane

C7H15P — CID 90741921

IUPAChept-2-en-3-ylphosphane
SMILESCC=C(P)CCCC
InChIInChI=1S/C7H15P/c1-3-5-6-7(8)4-2/h4H,3,5-6,8H2,1-2H3
InChIKeyLCBHYTNMAPKEGY-UHFFFAOYSA-N
MW130.17 g/mol
LogP2.96
Rot. Bonds3

About hept-2-en-3-ylphosphane

hept-2-en-3-ylphosphane (PubChem CID 90741921) has the molecular formula C7H15P and a molecular weight of 130.17 g/mol. Its IUPAC name is hept-2-en-3-ylphosphane.

Molecular Properties

Compound Namehept-2-en-3-ylphosphane
PubChem CID90741921
Molecular FormulaC7H15P
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Namehept-2-en-3-ylphosphane
SMILESCC=C(P)CCCC
InChIInChI=1S/C7H15P/c1-3-5-6-7(8)4-2/h4H,3,5-6,8H2,1-2H3
InChIKeyLCBHYTNMAPKEGY-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hept-2-en-3-ylphosphane?
The IUPAC name of hept-2-en-3-ylphosphane (CID 90741921) is hept-2-en-3-ylphosphane.
What is the SMILES notation for hept-2-en-3-ylphosphane?
The canonical SMILES for hept-2-en-3-ylphosphane is CC=C(P)CCCC.
What is the InChIKey of hept-2-en-3-ylphosphane?
The InChIKey is LCBHYTNMAPKEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15P/c1-3-5-6-7(8)4-2/h4H,3,5-6,8H2,1-2H3.
What are the key properties of hept-2-en-3-ylphosphane?
hept-2-en-3-ylphosphane has a molecular weight of 130.17 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-en-3-ylphosphane is sourced from PubChem (CID 90741921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).