2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane

C14H26O3 — CID 121440299

IUPAC2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane
SMILESC=CC1(C)OCCC1(OC(C)OCC)C(C)C
InChIInChI=1S/C14H26O3/c1-7-13(6)14(11(3)4,9-10-16-13)17-12(5)15-8-2/h7,11-12H,1,8-10H2,2-6H3
InChIKeyDUXJIOKLWSDHMU-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.15
Rot. Bonds6

About 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane

2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane (PubChem CID 121440299) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane.

Molecular Properties

Compound Name2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane
PubChem CID121440299
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane
SMILESC=CC1(C)OCCC1(OC(C)OCC)C(C)C
InChIInChI=1S/C14H26O3/c1-7-13(6)14(11(3)4,9-10-16-13)17-12(5)15-8-2/h7,11-12H,1,8-10H2,2-6H3
InChIKeyDUXJIOKLWSDHMU-UHFFFAOYSA-N
XLogP3.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 135043605
CID 135043605
CID 58166334
CID 58166334
CID 58372702
CID 58372702
CID 59638469
CID 59638469
CID 67259422
CID 67259422
CID 67260443
CID 67260443
CID 67828622
CID 67828622
CID 121440298
CID 121440298
CID 140371461
CID 140371461
CID 143329167
CID 143329167
CID 153960829
CID 153960829
CID 164781594
CID 164781594

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane?
The IUPAC name of 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane (CID 121440299) is 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane.
What is the SMILES notation for 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane?
The canonical SMILES for 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane is C=CC1(C)OCCC1(OC(C)OCC)C(C)C.
What is the InChIKey of 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane?
The InChIKey is DUXJIOKLWSDHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-7-13(6)14(11(3)4,9-10-16-13)17-12(5)15-8-2/h7,11-12H,1,8-10H2,2-6H3.
What are the key properties of 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane?
2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane has a molecular weight of 242.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-(1-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane is sourced from PubChem (CID 121440299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).