1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate

C16H27O8P — CID 164851657

IUPAC1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CCC)COP(=O)(O)OCC(CCC)OC(=O)C=C
InChIInChI=1S/C16H27O8P/c1-5-9-13(23-15(17)7-3)11-21-25(19,20)22-12-14(10-6-2)24-16(18)8-4/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,20)
InChIKeyVUYOAYSQOFSCGO-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.92
Rot. Bonds14

About 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate

1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate (PubChem CID 164851657) has the molecular formula C16H27O8P and a molecular weight of 378.36 g/mol. Its IUPAC name is 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate
PubChem CID164851657
Molecular FormulaC16H27O8P
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CCC)COP(=O)(O)OCC(CCC)OC(=O)C=C
InChIInChI=1S/C16H27O8P/c1-5-9-13(23-15(17)7-3)11-21-25(19,20)22-12-14(10-6-2)24-16(18)8-4/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,20)
InChIKeyVUYOAYSQOFSCGO-UHFFFAOYSA-N
XLogP2.92
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate 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

1-prop-2-enoxypentan-2-yl prop-2-enoate
CID 171774459
1-fluoropentan-2-yl prop-2-enoate
CID 174661468
pentadecan-4-yl prop-2-enoate
CID 543287
(2-amino-2-methylheptan-4-yl) prop-2-enoate
CID 175405204
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
2-hydroxyethyl(trimethyl)azanium;1-phosphonooxybutan-2-yl prop-2-enoate
CID 174737984
7-hydroxyoctan-3-yl prop-2-enoate
CID 88696843
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
1-nonan-4-yloxypropan-2-yl prop-2-enoate
CID 87898920
1-dibutoxyphosphoryloxybutyl prop-2-enoate
CID 141297832
3-ethylheptan-4-yl prop-2-enoate
CID 123986793

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate?
The IUPAC name of 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate (CID 164851657) is 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate.
What is the SMILES notation for 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate?
The canonical SMILES for 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate is C=CC(=O)OC(CCC)COP(=O)(O)OCC(CCC)OC(=O)C=C.
What is the InChIKey of 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate?
The InChIKey is VUYOAYSQOFSCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O8P/c1-5-9-13(23-15(17)7-3)11-21-25(19,20)22-12-14(10-6-2)24-16(18)8-4/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate?
1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate has a molecular weight of 378.36 g/mol, XLogP of 2.92, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate is sourced from PubChem (CID 164851657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).