4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene

C11H19O2P — CID 11600958

IUPAC4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene
SMILESC=CCC(C)OP(=O)(C(=C)C)C(=C)C
InChIInChI=1S/C11H19O2P/c1-7-8-11(6)13-14(12,9(2)3)10(4)5/h7,11H,1-2,4,8H2,3,5-6H3
InChIKeyKCHHPYLLKNHADC-UHFFFAOYSA-N
MW214.24 g/mol
LogP4.31
Rot. Bonds6

About 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene

4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene (PubChem CID 11600958) has the molecular formula C11H19O2P and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene.

Molecular Properties

Compound Name4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene
PubChem CID11600958
Molecular FormulaC11H19O2P
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene
SMILESC=CCC(C)OP(=O)(C(=C)C)C(=C)C
InChIInChI=1S/C11H19O2P/c1-7-8-11(6)13-14(12,9(2)3)10(4)5/h7,11H,1-2,4,8H2,3,5-6H3
InChIKeyKCHHPYLLKNHADC-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene?
The IUPAC name of 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene (CID 11600958) is 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene.
What is the SMILES notation for 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene?
The canonical SMILES for 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene is C=CCC(C)OP(=O)(C(=C)C)C(=C)C.
What is the InChIKey of 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene?
The InChIKey is KCHHPYLLKNHADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O2P/c1-7-8-11(6)13-14(12,9(2)3)10(4)5/h7,11H,1-2,4,8H2,3,5-6H3.
What are the key properties of 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene?
4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene has a molecular weight of 214.24 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bis(prop-1-en-2-yl)phosphoryloxypent-1-ene is sourced from PubChem (CID 11600958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).