2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane

C20H34O3 — CID 21195529

IUPAC2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane
SMILESCC(C)=CCCC1(C)OC1COCC1OC1(C)CCC=C(C)C
InChIInChI=1S/C20H34O3/c1-15(2)9-7-11-19(5)17(22-19)13-21-14-18-20(6,23-18)12-8-10-16(3)4/h9-10,17-18H,7-8,11-14H2,1-6H3
InChIKeyLWZSLTMLUKXKDF-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.81
Rot. Bonds10

About 2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane

2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane (PubChem CID 21195529) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane
PubChem CID21195529
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane
SMILESCC(C)=CCCC1(C)OC1COCC1OC1(C)CCC=C(C)C
InChIInChI=1S/C20H34O3/c1-15(2)9-7-11-19(5)17(22-19)13-21-14-18-20(6,23-18)12-8-10-16(3)4/h9-10,17-18H,7-8,11-14H2,1-6H3
InChIKeyLWZSLTMLUKXKDF-UHFFFAOYSA-N
XLogP4.81
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.81
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-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane?
The IUPAC name of 2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane (CID 21195529) is 2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane.
What is the SMILES notation for 2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane?
The canonical SMILES for 2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane is CC(C)=CCCC1(C)OC1COCC1OC1(C)CCC=C(C)C.
What is the InChIKey of 2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane?
The InChIKey is LWZSLTMLUKXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-15(2)9-7-11-19(5)17(22-19)13-21-14-18-20(6,23-18)12-8-10-16(3)4/h9-10,17-18H,7-8,11-14H2,1-6H3.
What are the key properties of 2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane?
2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane has a molecular weight of 322.49 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxymethyl]-2-(4-methylpent-3-enyl)oxirane is sourced from PubChem (CID 21195529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).