2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane

C15H18O2 — CID 91802357

IUPAC2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane
SMILESC/C=C/c1c(CC2CO2)cccc1CC1CO1
InChIInChI=1S/C15H18O2/c1-2-4-15-11(7-13-9-16-13)5-3-6-12(15)8-14-10-17-14/h2-6,13-14H,7-10H2,1H3/b4-2+
InChIKeyKVBQXIKUQFQVIN-DUXPYHPUSA-N
MW230.31 g/mol
LogP2.60
Rot. Bonds5

About 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane

2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane (PubChem CID 91802357) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane
PubChem CID91802357
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane
SMILESC/C=C/c1c(CC2CO2)cccc1CC1CO1
InChIInChI=1S/C15H18O2/c1-2-4-15-11(7-13-9-16-13)5-3-6-12(15)8-14-10-17-14/h2-6,13-14H,7-10H2,1H3/b4-2+
InChIKeyKVBQXIKUQFQVIN-DUXPYHPUSA-N
XLogP2.60
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane?
The IUPAC name of 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane (CID 91802357) is 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane?
The canonical SMILES for 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane is C/C=C/c1c(CC2CO2)cccc1CC1CO1.
What is the InChIKey of 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane?
The InChIKey is KVBQXIKUQFQVIN-DUXPYHPUSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-4-15-11(7-13-9-16-13)5-3-6-12(15)8-14-10-17-14/h2-6,13-14H,7-10H2,1H3/b4-2+.
What are the key properties of 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane?
2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane has a molecular weight of 230.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane is sourced from PubChem (CID 91802357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).