6-(1,3-dioxan-2-yl)hex-2-enoic acid

C10H16O4 — CID 67935973

IUPAC6-(1,3-dioxan-2-yl)hex-2-enoic acid
SMILESO=C(O)C=CCCCC1OCCCO1
InChIInChI=1S/C10H16O4/c11-9(12)5-2-1-3-6-10-13-7-4-8-14-10/h2,5,10H,1,3-4,6-8H2,(H,11,12)
InChIKeyOCIIVDNUWYZDTG-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.56
Rot. Bonds5

About 6-(1,3-dioxan-2-yl)hex-2-enoic acid

6-(1,3-dioxan-2-yl)hex-2-enoic acid (PubChem CID 67935973) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 6-(1,3-dioxan-2-yl)hex-2-enoic acid.

Molecular Properties

Compound Name6-(1,3-dioxan-2-yl)hex-2-enoic acid
PubChem CID67935973
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name6-(1,3-dioxan-2-yl)hex-2-enoic acid
SMILESO=C(O)C=CCCCC1OCCCO1
InChIInChI=1S/C10H16O4/c11-9(12)5-2-1-3-6-10-13-7-4-8-14-10/h2,5,10H,1,3-4,6-8H2,(H,11,12)
InChIKeyOCIIVDNUWYZDTG-UHFFFAOYSA-N
XLogP1.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxan-2-yl)hex-2-enoic acid?
The IUPAC name of 6-(1,3-dioxan-2-yl)hex-2-enoic acid (CID 67935973) is 6-(1,3-dioxan-2-yl)hex-2-enoic acid.
What is the SMILES notation for 6-(1,3-dioxan-2-yl)hex-2-enoic acid?
The canonical SMILES for 6-(1,3-dioxan-2-yl)hex-2-enoic acid is O=C(O)C=CCCCC1OCCCO1.
What is the InChIKey of 6-(1,3-dioxan-2-yl)hex-2-enoic acid?
The InChIKey is OCIIVDNUWYZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-9(12)5-2-1-3-6-10-13-7-4-8-14-10/h2,5,10H,1,3-4,6-8H2,(H,11,12).
What are the key properties of 6-(1,3-dioxan-2-yl)hex-2-enoic acid?
6-(1,3-dioxan-2-yl)hex-2-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxan-2-yl)hex-2-enoic acid is sourced from PubChem (CID 67935973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).