(Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid

C10H16O4 — CID 67926400

IUPAC(Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid
SMILESC/C=C(/CCC(=O)O)C1COCOC1
InChIInChI=1S/C10H16O4/c1-2-8(3-4-10(11)12)9-5-13-7-14-6-9/h2,9H,3-7H2,1H3,(H,11,12)/b8-2-
InChIKeyTWVGZMJJWPPGCS-WAPJZHGLSA-N
MW200.23 g/mol
LogP1.42
Rot. Bonds4

About (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid

(Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid (PubChem CID 67926400) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid.

Molecular Properties

Compound Name(Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid
PubChem CID67926400
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid
SMILESC/C=C(/CCC(=O)O)C1COCOC1
InChIInChI=1S/C10H16O4/c1-2-8(3-4-10(11)12)9-5-13-7-14-6-9/h2,9H,3-7H2,1H3,(H,11,12)/b8-2-
InChIKeyTWVGZMJJWPPGCS-WAPJZHGLSA-N
XLogP1.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.42
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 (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid?
The IUPAC name of (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid (CID 67926400) is (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid.
What is the SMILES notation for (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid?
The canonical SMILES for (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid is C/C=C(/CCC(=O)O)C1COCOC1.
What is the InChIKey of (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid?
The InChIKey is TWVGZMJJWPPGCS-WAPJZHGLSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-8(3-4-10(11)12)9-5-13-7-14-6-9/h2,9H,3-7H2,1H3,(H,11,12)/b8-2-.
What are the key properties of (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid?
(Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1,3-dioxan-5-yl)hex-4-enoic acid is sourced from PubChem (CID 67926400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).