4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one

C16H20O8 — CID 159860290

IUPAC4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1C(C)OCC=CCOC(C)c1oc(=O)oc1C
InChIInChI=1S/C16H20O8/c1-9(13-11(3)21-15(17)23-13)19-7-5-6-8-20-10(2)14-12(4)22-16(18)24-14/h5-6,9-10H,7-8H2,1-4H3
InChIKeyNRBCKUHAZKKNAP-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.81
Rot. Bonds8

About 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one

4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one (PubChem CID 159860290) has the molecular formula C16H20O8 and a molecular weight of 340.33 g/mol. Its IUPAC name is 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one
PubChem CID159860290
Molecular FormulaC16H20O8
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1C(C)OCC=CCOC(C)c1oc(=O)oc1C
InChIInChI=1S/C16H20O8/c1-9(13-11(3)21-15(17)23-13)19-7-5-6-8-20-10(2)14-12(4)22-16(18)24-14/h5-6,9-10H,7-8H2,1-4H3
InChIKeyNRBCKUHAZKKNAP-UHFFFAOYSA-N
XLogP2.81
TPSA105.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one with MolForge

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Launch Full Analysis

Related Compounds

[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
CID 57179833
Tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate
CID 68562569
4-[(2-Oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methoxymethyl]-5-prop-2-enyl-1,3-dioxol-2-one
CID 69712949
4-[2-[1-(2-Oxo-1,3-dioxolan-4-yl)prop-1-en-2-yloxy]prop-1-enyl]-1,3-dioxolan-2-one
CID 89859032
(4E)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one
CID 100927911
(4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one
CID 100927912
tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate
CID 101390856
4-methyl-5-[[(E)-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]but-2-enoxy]methyl]-1,3-dioxol-2-one
CID 138517728
4-[[(3E,5E)-6-methoxyocta-3,5,7-trien-3-yl]oxymethyl]-1,3-dioxolan-2-one
CID 145668929
1-[2-[2-[2-[2-(2-Oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate
CID 146259932
4-[[(E)-2,5-dimethyl-5-[(2-oxo-1,3-dioxolan-4-yl)methoxy]hex-3-en-2-yl]oxymethyl]-1,3-dioxolan-2-one
CID 148369400
(Z)-but-2-ene;ethane;1-[2-[2-[2-[2-(2-oxo-1,3-dioxolan-4-ylidene)ethoxy]ethoxy]ethoxy]ethoxy]pent-2-en-3-yl acetate
CID 153363330

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one?
The IUPAC name of 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one (CID 159860290) is 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one is Cc1oc(=O)oc1C(C)OCC=CCOC(C)c1oc(=O)oc1C.
What is the InChIKey of 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one?
The InChIKey is NRBCKUHAZKKNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O8/c1-9(13-11(3)21-15(17)23-13)19-7-5-6-8-20-10(2)14-12(4)22-16(18)24-14/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one?
4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one has a molecular weight of 340.33 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-[4-[1-(5-methyl-2-oxo-1,3-dioxol-4-yl)ethoxy]but-2-enoxy]ethyl]-1,3-dioxol-2-one is sourced from PubChem (CID 159860290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).