4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane

C18H32O7 — CID 101144487

IUPAC4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCOC(COCC1COC(C)(C)O1)COCC1COC(C)(C)O1
InChIInChI=1S/C18H32O7/c1-6-7-21-14(8-19-10-15-12-22-17(2,3)24-15)9-20-11-16-13-23-18(4,5)25-16/h6,14-16H,1,7-13H2,2-5H3
InChIKeyLOJSNBRQZGUHII-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.89
Rot. Bonds11

About 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane

4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 101144487) has the molecular formula C18H32O7 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID101144487
Molecular FormulaC18H32O7
Molecular Weight360.45 g/mol
Exact Mass360.21
IUPAC Name4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=CCOC(COCC1COC(C)(C)O1)COCC1COC(C)(C)O1
InChIInChI=1S/C18H32O7/c1-6-7-21-14(8-19-10-15-12-22-17(2,3)24-15)9-20-11-16-13-23-18(4,5)25-16/h6,14-16H,1,7-13H2,2-5H3
InChIKeyLOJSNBRQZGUHII-UHFFFAOYSA-N
XLogP1.89
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane (CID 101144487) is 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane is C=CCOC(COCC1COC(C)(C)O1)COCC1COC(C)(C)O1.
What is the InChIKey of 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is LOJSNBRQZGUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O7/c1-6-7-21-14(8-19-10-15-12-22-17(2,3)24-15)9-20-11-16-13-23-18(4,5)25-16/h6,14-16H,1,7-13H2,2-5H3.
What are the key properties of 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane?
4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 360.45 g/mol, XLogP of 1.89, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-prop-2-enoxypropoxy]methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 101144487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).