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'}

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

Phosphinic acid, diallyl-, isopropyl ester
CID 120310
(4-Pentenyl)phosphonic acid diethyl ester
CID 13462469
Dipropan-2-yl (1-fluorobut-3-en-1-yl)phosphonate
CID 13133774
(2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2lambda5-oxaphosphinine 2-oxide
CID 11535640
4-bis[(E)-prop-1-enyl]phosphoryloxypent-1-ene
CID 11586551
4-Bis(ethenyl)phosphoryloxypent-1-ene
CID 11636947
(2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2lambda5-oxaphosphinine 2-oxide
CID 11643969
4-bis[(Z)-prop-1-enyl]phosphoryloxypent-1-ene
CID 11651422
(E)-3-methyl-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062970
Tris(3-fluoropent-4-en-2-yl) phosphate
CID 87515169
(E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062971
(Z)-1-di(propan-2-yloxy)phosphorylselanylhex-1-ene
CID 15425444

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).