2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane

C15H24O2 — CID 89188797

IUPAC2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane
SMILESC=CC(=C)CCC1OC1(C)CCC1OC1(C)C
InChIInChI=1S/C15H24O2/c1-6-11(2)7-8-13-15(5,17-13)10-9-12-14(3,4)16-12/h6,12-13H,1-2,7-10H2,3-5H3
InChIKeyAIFONFPDHOLHIK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.62
Rot. Bonds7

About 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane

2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane (PubChem CID 89188797) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane
PubChem CID89188797
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane
SMILESC=CC(=C)CCC1OC1(C)CCC1OC1(C)C
InChIInChI=1S/C15H24O2/c1-6-11(2)7-8-13-15(5,17-13)10-9-12-14(3,4)16-12/h6,12-13H,1-2,7-10H2,3-5H3
InChIKeyAIFONFPDHOLHIK-UHFFFAOYSA-N
XLogP3.62
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane?
The IUPAC name of 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane (CID 89188797) is 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane.
What is the SMILES notation for 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane?
The canonical SMILES for 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane is C=CC(=C)CCC1OC1(C)CCC1OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane?
The InChIKey is AIFONFPDHOLHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-11(2)7-8-13-15(5,17-13)10-9-12-14(3,4)16-12/h6,12-13H,1-2,7-10H2,3-5H3.
What are the key properties of 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane?
2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane has a molecular weight of 236.35 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-[2-methyl-3-(3-methylidenepent-4-enyl)oxiran-2-yl]ethyl]oxirane is sourced from PubChem (CID 89188797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).