2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane

C16H26O3 — CID 57054436

IUPAC2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane
SMILESCC(C)=CCC(OC(CC=C(C)C)C1CO1)C1CO1
InChIInChI=1S/C16H26O3/c1-11(2)5-7-13(15-9-17-15)19-14(16-10-18-16)8-6-12(3)4/h5-6,13-16H,7-10H2,1-4H3
InChIKeyVNASZSZMWRUIFU-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.25
Rot. Bonds8

About 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane

2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane (PubChem CID 57054436) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane.

Molecular Properties

Compound Name2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane
PubChem CID57054436
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane
SMILESCC(C)=CCC(OC(CC=C(C)C)C1CO1)C1CO1
InChIInChI=1S/C16H26O3/c1-11(2)5-7-13(15-9-17-15)19-14(16-10-18-16)8-6-12(3)4/h5-6,13-16H,7-10H2,1-4H3
InChIKeyVNASZSZMWRUIFU-UHFFFAOYSA-N
XLogP3.25
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane?
The IUPAC name of 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane (CID 57054436) is 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane.
What is the SMILES notation for 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane?
The canonical SMILES for 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane is CC(C)=CCC(OC(CC=C(C)C)C1CO1)C1CO1.
What is the InChIKey of 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane?
The InChIKey is VNASZSZMWRUIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-11(2)5-7-13(15-9-17-15)19-14(16-10-18-16)8-6-12(3)4/h5-6,13-16H,7-10H2,1-4H3.
What are the key properties of 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane?
2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane has a molecular weight of 266.38 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-[4-methyl-1-(oxiran-2-yl)pent-3-enoxy]pent-3-enyl]oxirane is sourced from PubChem (CID 57054436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).