(3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane

C15H24O — CID 162995419

IUPAC(3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane
SMILESCC1=CC[C@@]2([C@@H](C)CC[C@H]3OC3(C)C)C[C@@H]12
InChIInChI=1S/C15H24O/c1-10-7-8-15(9-12(10)15)11(2)5-6-13-14(3,4)16-13/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m0/s1
InChIKeyMAJHBVOOMZYAJX-XPCVCDNBSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds4

About (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane

(3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane (PubChem CID 162995419) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane
PubChem CID162995419
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane
SMILESCC1=CC[C@@]2([C@@H](C)CC[C@H]3OC3(C)C)C[C@@H]12
InChIInChI=1S/C15H24O/c1-10-7-8-15(9-12(10)15)11(2)5-6-13-14(3,4)16-13/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m0/s1
InChIKeyMAJHBVOOMZYAJX-XPCVCDNBSA-N
XLogP3.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane?
The IUPAC name of (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane (CID 162995419) is (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane.
What is the SMILES notation for (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane?
The canonical SMILES for (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane is CC1=CC[C@@]2([C@@H](C)CC[C@H]3OC3(C)C)C[C@@H]12.
What is the InChIKey of (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane?
The InChIKey is MAJHBVOOMZYAJX-XPCVCDNBSA-N. The full InChI is InChI=1S/C15H24O/c1-10-7-8-15(9-12(10)15)11(2)5-6-13-14(3,4)16-13/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m0/s1.
What are the key properties of (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane?
(3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane has a molecular weight of 220.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-[(3S)-3-[(5S)-4-methyl-1-bicyclo[3.1.0]hex-3-enyl]butyl]oxirane is sourced from PubChem (CID 162995419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).