3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid

C19H26O4 — CID 53447331

IUPAC3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid
SMILESC=CCOC(=O)C(CC=C)(CC=C)C(CC=C)(CC=C)C(=O)O
InChIInChI=1S/C19H26O4/c1-6-11-18(12-7-2,16(20)21)19(13-8-3,14-9-4)17(22)23-15-10-5/h6-10H,1-5,11-15H2,(H,20,21)
InChIKeyMWSUADSDIIJWCL-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.08
Rot. Bonds13

About 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid

3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid (PubChem CID 53447331) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid.

Molecular Properties

Compound Name3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid
PubChem CID53447331
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid
SMILESC=CCOC(=O)C(CC=C)(CC=C)C(CC=C)(CC=C)C(=O)O
InChIInChI=1S/C19H26O4/c1-6-11-18(12-7-2,16(20)21)19(13-8-3,14-9-4)17(22)23-15-10-5/h6-10H,1-5,11-15H2,(H,20,21)
InChIKeyMWSUADSDIIJWCL-UHFFFAOYSA-N
XLogP4.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid?
The IUPAC name of 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid (CID 53447331) is 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid.
What is the SMILES notation for 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid?
The canonical SMILES for 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid is C=CCOC(=O)C(CC=C)(CC=C)C(CC=C)(CC=C)C(=O)O.
What is the InChIKey of 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid?
The InChIKey is MWSUADSDIIJWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-6-11-18(12-7-2,16(20)21)19(13-8-3,14-9-4)17(22)23-15-10-5/h6-10H,1-5,11-15H2,(H,20,21).
What are the key properties of 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid?
3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid has a molecular weight of 318.41 g/mol, XLogP of 4.08, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxycarbonyl-2,2,3-tris(prop-2-enyl)hex-5-enoic acid is sourced from PubChem (CID 53447331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).