(Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid

C11H18O4 — CID 101166228

IUPAC(Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid
SMILESCC1(C)OCC(C/C=C\CCC(=O)O)O1
InChIInChI=1S/C11H18O4/c1-11(2)14-8-9(15-11)6-4-3-5-7-10(12)13/h3-4,9H,5-8H2,1-2H3,(H,12,13)/b4-3-
InChIKeyDQQOKCPSQZARGX-ARJAWSKDSA-N
MW214.26 g/mol
LogP1.95
Rot. Bonds5

About (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid

(Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid (PubChem CID 101166228) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid.

Molecular Properties

Compound Name(Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid
PubChem CID101166228
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid
SMILESCC1(C)OCC(C/C=C\CCC(=O)O)O1
InChIInChI=1S/C11H18O4/c1-11(2)14-8-9(15-11)6-4-3-5-7-10(12)13/h3-4,9H,5-8H2,1-2H3,(H,12,13)/b4-3-
InChIKeyDQQOKCPSQZARGX-ARJAWSKDSA-N
XLogP1.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 22831652
ethyl (E)-5-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 42612526
Ethyl 9,9-ethylenedioxy-4-decenoate
CID 85563388
(Z)-6-(2-sulfanylidene-1,3-dioxolan-4-yl)hex-4-enoic acid
CID 101166230
methyl (E,6R)-6-hydroxy-6-[(4S)-2-oxo-1,3-dioxolan-4-yl]hex-4-enoate
CID 134892527
methyl 5-[2-[(3R)-3-hydroxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate
CID 135039827
methyl (Z)-7-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-5-enoate
CID 10401036
methyl (E,2S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-3-enoate
CID 10561436
ethyl (Z)-5-[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 11043441
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 25006985
methyl (Z)-5-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 53659584
Ethyl 5-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoate
CID 54401352

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid?
The IUPAC name of (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid (CID 101166228) is (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid.
What is the SMILES notation for (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid?
The canonical SMILES for (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid is CC1(C)OCC(C/C=C\CCC(=O)O)O1.
What is the InChIKey of (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid?
The InChIKey is DQQOKCPSQZARGX-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H18O4/c1-11(2)14-8-9(15-11)6-4-3-5-7-10(12)13/h3-4,9H,5-8H2,1-2H3,(H,12,13)/b4-3-.
What are the key properties of (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid?
(Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-4-enoic acid is sourced from PubChem (CID 101166228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).