(5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate

C18H30O5 — CID 173131238

IUPAC(5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC(CC)CC(O)(CCC)CC(CC)OC(=O)C=C
InChIInChI=1S/C18H30O5/c1-6-11-18(21,12-14(7-2)22-16(19)9-4)13-15(8-3)23-17(20)10-5/h9-10,14-15,21H,4-8,11-13H2,1-3H3
InChIKeyXAWXPMRFJWUFGI-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.31
Rot. Bonds12

About (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate

(5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate (PubChem CID 173131238) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate
PubChem CID173131238
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name(5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC(CC)CC(O)(CCC)CC(CC)OC(=O)C=C
InChIInChI=1S/C18H30O5/c1-6-11-18(21,12-14(7-2)22-16(19)9-4)13-15(8-3)23-17(20)10-5/h9-10,14-15,21H,4-8,11-13H2,1-3H3
InChIKeyXAWXPMRFJWUFGI-UHFFFAOYSA-N
XLogP3.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-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

[5-(hydroxymethyl)-5-methylheptan-3-yl] prop-2-enoate
CID 89117261
ethanol;octan-3-yl prop-2-enoate
CID 158914224
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
dodecan-3-yl prop-2-enoate
CID 543279
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
(5-amino-5-methylhexan-3-yl) prop-2-enoate;ethyl hydrogen sulfate
CID 175031704
1-cyanobutan-2-yl prop-2-enoate
CID 57224639
magnesium bis(4-prop-2-enoyloxy-2-(2-prop-2-enoyloxypropyl)-2-propylpentanoate)
CID 141469581
(2-amino-2-methylheptan-4-yl) prop-2-enoate
CID 175405204
1-fluoropentan-2-yl prop-2-enoate
CID 174661468
1,3-bis(2-methylundecan-2-ylsulfanyl)propan-2-yl prop-2-enoate
CID 20511489

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate?
The IUPAC name of (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate (CID 173131238) is (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate.
What is the SMILES notation for (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate?
The canonical SMILES for (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate is C=CC(=O)OC(CC)CC(O)(CCC)CC(CC)OC(=O)C=C.
What is the InChIKey of (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate?
The InChIKey is XAWXPMRFJWUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5/c1-6-11-18(21,12-14(7-2)22-16(19)9-4)13-15(8-3)23-17(20)10-5/h9-10,14-15,21H,4-8,11-13H2,1-3H3.
What are the key properties of (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate?
(5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate has a molecular weight of 326.43 g/mol, XLogP of 3.31, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-7-prop-2-enoyloxy-5-propylnonan-3-yl) prop-2-enoate is sourced from PubChem (CID 173131238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).