(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane

C13H21OP — CID 102232293

IUPAC(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane
SMILESC=CCOPC1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H21OP/c1-7-8-14-15-13(6)11(4)9(2)10(3)12(13)5/h7,15H,1,8H2,2-6H3
InChIKeyUNBGUFATWHVNMN-UHFFFAOYSA-N
MW224.28 g/mol
LogP4.23
Rot. Bonds4

About (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane

(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane (PubChem CID 102232293) has the molecular formula C13H21OP and a molecular weight of 224.28 g/mol. Its IUPAC name is (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane.

Molecular Properties

Compound Name(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane
PubChem CID102232293
Molecular FormulaC13H21OP
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane
SMILESC=CCOPC1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H21OP/c1-7-8-14-15-13(6)11(4)9(2)10(3)12(13)5/h7,15H,1,8H2,2-6H3
InChIKeyUNBGUFATWHVNMN-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane?
The IUPAC name of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane (CID 102232293) is (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane.
What is the SMILES notation for (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane?
The canonical SMILES for (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane is C=CCOPC1(C)C(C)=C(C)C(C)=C1C.
What is the InChIKey of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane?
The InChIKey is UNBGUFATWHVNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21OP/c1-7-8-14-15-13(6)11(4)9(2)10(3)12(13)5/h7,15H,1,8H2,2-6H3.
What are the key properties of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane?
(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane has a molecular weight of 224.28 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-prop-2-enoxyphosphane is sourced from PubChem (CID 102232293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).