(4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene

C10H16O — CID 130333059

IUPAC(4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene
SMILESCOCC1=C[C@@H]2CC(C)C1C2
InChIInChI=1S/C10H16O/c1-7-3-8-4-9(6-11-2)10(7)5-8/h4,7-8,10H,3,5-6H2,1-2H3/t7?,8-,10?/m0/s1
InChIKeyQPMKLYPDMIBFSB-ZCUBBSJVSA-N
MW152.24 g/mol
LogP2.24
Rot. Bonds2

About (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene

(4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 130333059) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene
PubChem CID130333059
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene
SMILESCOCC1=C[C@@H]2CC(C)C1C2
InChIInChI=1S/C10H16O/c1-7-3-8-4-9(6-11-2)10(7)5-8/h4,7-8,10H,3,5-6H2,1-2H3/t7?,8-,10?/m0/s1
InChIKeyQPMKLYPDMIBFSB-ZCUBBSJVSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene (CID 130333059) is (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene is COCC1=C[C@@H]2CC(C)C1C2.
What is the InChIKey of (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is QPMKLYPDMIBFSB-ZCUBBSJVSA-N. The full InChI is InChI=1S/C10H16O/c1-7-3-8-4-9(6-11-2)10(7)5-8/h4,7-8,10H,3,5-6H2,1-2H3/t7?,8-,10?/m0/s1.
What are the key properties of (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene?
(4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 152.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(methoxymethyl)-6-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 130333059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).