(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane

C15H26O — CID 126580616

IUPAC(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane
SMILESCC(C)=CC[C@H]1O[C@]1(C)[C@H]1CCCC[C@H]1C
InChIInChI=1S/C15H26O/c1-11(2)9-10-14-15(4,16-14)13-8-6-5-7-12(13)3/h9,12-14H,5-8,10H2,1-4H3/t12-,13+,14-,15-/m1/s1
InChIKeyWSYWKAIDNVDOOV-LXTVHRRPSA-N
MW222.37 g/mol
LogP4.33
Rot. Bonds3

About (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane

(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane (PubChem CID 126580616) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane
PubChem CID126580616
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane
SMILESCC(C)=CC[C@H]1O[C@]1(C)[C@H]1CCCC[C@H]1C
InChIInChI=1S/C15H26O/c1-11(2)9-10-14-15(4,16-14)13-8-6-5-7-12(13)3/h9,12-14H,5-8,10H2,1-4H3/t12-,13+,14-,15-/m1/s1
InChIKeyWSYWKAIDNVDOOV-LXTVHRRPSA-N
XLogP4.33
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.33
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 (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane?
The IUPAC name of (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane (CID 126580616) is (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane.
What is the SMILES notation for (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane?
The canonical SMILES for (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane is CC(C)=CC[C@H]1O[C@]1(C)[C@H]1CCCC[C@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane?
The InChIKey is WSYWKAIDNVDOOV-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)9-10-14-15(4,16-14)13-8-6-5-7-12(13)3/h9,12-14H,5-8,10H2,1-4H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane?
(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane has a molecular weight of 222.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-[(1S,2R)-2-methylcyclohexyl]oxirane is sourced from PubChem (CID 126580616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).