2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid

C15H24O5 — CID 175984836

IUPAC2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid
SMILESC=CCC1CCCC(C[C@@H]2COC(C)(C)O2)(C(=O)O)O1
InChIInChI=1S/C15H24O5/c1-4-6-11-7-5-8-15(20-11,13(16)17)9-12-10-18-14(2,3)19-12/h4,11-12H,1,5-10H2,2-3H3,(H,16,17)/t11?,12-,15?/m1/s1
InChIKeyDWFUBYBVQAZHHV-MQYJIDSJSA-N
MW284.35 g/mol
LogP2.50
Rot. Bonds5

About 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid

2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid (PubChem CID 175984836) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid.

Molecular Properties

Compound Name2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid
PubChem CID175984836
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid
SMILESC=CCC1CCCC(C[C@@H]2COC(C)(C)O2)(C(=O)O)O1
InChIInChI=1S/C15H24O5/c1-4-6-11-7-5-8-15(20-11,13(16)17)9-12-10-18-14(2,3)19-12/h4,11-12H,1,5-10H2,2-3H3,(H,16,17)/t11?,12-,15?/m1/s1
InChIKeyDWFUBYBVQAZHHV-MQYJIDSJSA-N
XLogP2.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid?
The IUPAC name of 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid (CID 175984836) is 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid.
What is the SMILES notation for 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid?
The canonical SMILES for 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid is C=CCC1CCCC(C[C@@H]2COC(C)(C)O2)(C(=O)O)O1.
What is the InChIKey of 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid?
The InChIKey is DWFUBYBVQAZHHV-MQYJIDSJSA-N. The full InChI is InChI=1S/C15H24O5/c1-4-6-11-7-5-8-15(20-11,13(16)17)9-12-10-18-14(2,3)19-12/h4,11-12H,1,5-10H2,2-3H3,(H,16,17)/t11?,12-,15?/m1/s1.
What are the key properties of 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid?
2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid has a molecular weight of 284.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxane-2-carboxylic acid is sourced from PubChem (CID 175984836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).