(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane

C19H34O7 — CID 163828083

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane
SMILESCCCOCCOC(C)(C)C.Cc1oc(=O)oc1COC(=O)C(C)(C)C
InChIInChI=1S/C10H14O5.C9H20O2/c1-6-7(15-9(12)14-6)5-13-8(11)10(2,3)4;1-5-6-10-7-8-11-9(2,3)4/h5H2,1-4H3;5-8H2,1-4H3
InChIKeyOBHHTLRLSWMDNT-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.86
Rot. Bonds7

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane (PubChem CID 163828083) has the molecular formula C19H34O7 and a molecular weight of 374.47 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane
PubChem CID163828083
Molecular FormulaC19H34O7
Molecular Weight374.47 g/mol
Exact Mass374.23
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane
SMILESCCCOCCOC(C)(C)C.Cc1oc(=O)oc1COC(=O)C(C)(C)C
InChIInChI=1S/C10H14O5.C9H20O2/c1-6-7(15-9(12)14-6)5-13-8(11)10(2,3)4;1-5-6-10-7-8-11-9(2,3)4/h5H2,1-4H3;5-8H2,1-4H3
InChIKeyOBHHTLRLSWMDNT-UHFFFAOYSA-N
XLogP3.86
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 21061601
4-Methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-dioxol-2-one
CID 21138960
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-methylpropanoate
CID 57887012
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 3,3-dimethylbutanoate
CID 58102899
(5-Methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 58344402
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl propanoate
CID 58506363
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylbutanoate
CID 89503032
[5-(Methoxymethyl)-2-oxo-1,3-dioxol-4-yl]methyl acetate
CID 89980937
(5-Methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate
CID 121486105
4-Methyl-5-(2-methylbutan-2-yloxymethyl)-1,3-dioxol-2-one
CID 130283821
(2-Hydroxy-5-methyl-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 134462251
Ethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate
CID 142318644

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane (CID 163828083) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane is CCCOCCOC(C)(C)C.Cc1oc(=O)oc1COC(=O)C(C)(C)C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane?
The InChIKey is OBHHTLRLSWMDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5.C9H20O2/c1-6-7(15-9(12)14-6)5-13-8(11)10(2,3)4;1-5-6-10-7-8-11-9(2,3)4/h5H2,1-4H3;5-8H2,1-4H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane has a molecular weight of 374.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2,2-dimethylpropanoate;2-methyl-2-(2-propoxyethoxy)propane is sourced from PubChem (CID 163828083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).