3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane

C19H26O2 — CID 21403436

IUPAC3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
SMILESCC(C)=CCCC1(C)OC1COc1ccc(C2CC2)cc1
InChIInChI=1S/C19H26O2/c1-14(2)5-4-12-19(3)18(21-19)13-20-17-10-8-16(9-11-17)15-6-7-15/h5,8-11,15,18H,4,6-7,12-13H2,1-3H3
InChIKeyKIOZNNYWKWUBSY-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.85
Rot. Bonds7

About 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane

3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane (PubChem CID 21403436) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane.

Molecular Properties

Compound Name3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
PubChem CID21403436
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
SMILESCC(C)=CCCC1(C)OC1COc1ccc(C2CC2)cc1
InChIInChI=1S/C19H26O2/c1-14(2)5-4-12-19(3)18(21-19)13-20-17-10-8-16(9-11-17)15-6-7-15/h5,8-11,15,18H,4,6-7,12-13H2,1-3H3
InChIKeyKIOZNNYWKWUBSY-UHFFFAOYSA-N
XLogP4.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane?
The IUPAC name of 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane (CID 21403436) is 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane.
What is the SMILES notation for 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane?
The canonical SMILES for 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane is CC(C)=CCCC1(C)OC1COc1ccc(C2CC2)cc1.
What is the InChIKey of 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane?
The InChIKey is KIOZNNYWKWUBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-14(2)5-4-12-19(3)18(21-19)13-20-17-10-8-16(9-11-17)15-6-7-15/h5,8-11,15,18H,4,6-7,12-13H2,1-3H3.
What are the key properties of 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane?
3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane has a molecular weight of 286.42 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylphenoxy)methyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane is sourced from PubChem (CID 21403436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).