(2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane

C10H16O — CID 10606947

IUPAC(2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane
SMILESCC1=CC[C@@H]([C@@]2(C)CO2)CC1
InChIInChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyPJGRMBOWSWHGDV-NXEZZACHSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds1

About (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane

(2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane (PubChem CID 10606947) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane.

Molecular Properties

Compound Name(2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane
PubChem CID10606947
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane
SMILESCC1=CC[C@@H]([C@@]2(C)CO2)CC1
InChIInChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3/t9-,10-/m1/s1
InChIKeyPJGRMBOWSWHGDV-NXEZZACHSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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 (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane?
The IUPAC name of (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane (CID 10606947) is (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane.
What is the SMILES notation for (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane?
The canonical SMILES for (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane is CC1=CC[C@@H]([C@@]2(C)CO2)CC1.
What is the InChIKey of (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane?
The InChIKey is PJGRMBOWSWHGDV-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane?
(2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]oxirane is sourced from PubChem (CID 10606947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).