8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene

C10H16O2 — CID 100957888

IUPAC8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene
SMILESCOCC1=C(C)C2CCCOC12
InChIInChI=1S/C10H16O2/c1-7-8-4-3-5-12-10(8)9(7)6-11-2/h8,10H,3-6H2,1-2H3
InChIKeyJHIGOTWFDOLXRA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.76
Rot. Bonds2

About 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene

8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene (PubChem CID 100957888) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene.

Molecular Properties

Compound Name8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene
PubChem CID100957888
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene
SMILESCOCC1=C(C)C2CCCOC12
InChIInChI=1S/C10H16O2/c1-7-8-4-3-5-12-10(8)9(7)6-11-2/h8,10H,3-6H2,1-2H3
InChIKeyJHIGOTWFDOLXRA-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]chromium
CID 135002842
Carbon monoxide;[methoxy-(7-methyl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135002843
2-cyclohexyl-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 85736920
Carbon monoxide;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135004187
4-Methoxy-4-methyl-2-pent-2-en-2-yloxane
CID 54278231
2-[(Z)-but-2-en-2-yl]-4-methyloxane
CID 69450136
4-[(4-Methylcyclohexen-1-yl)methoxy]oxane
CID 144113078
4-[1-(4-ethyl-2,5-dihydrofuran-2-yl)propan-2-yl]-3,6-dihydro-2H-pyran
CID 155484975
(4S)-3,5-dimethoxy-1,4-dimethylcyclohexene
CID 163487182
2,3-Di(propan-2-yl)-9-oxabicyclo[3.3.1]non-2-ene
CID 177129371
[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
CID 11102474
3-(1-methoxybutyl)-4-methyl-3,6-dihydro-2H-pyran
CID 13227840

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene?
The IUPAC name of 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene (CID 100957888) is 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene.
What is the SMILES notation for 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene?
The canonical SMILES for 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene is COCC1=C(C)C2CCCOC12.
What is the InChIKey of 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene?
The InChIKey is JHIGOTWFDOLXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-8-4-3-5-12-10(8)9(7)6-11-2/h8,10H,3-6H2,1-2H3.
What are the key properties of 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene?
8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene has a molecular weight of 168.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-7-methyl-2-oxabicyclo[4.2.0]oct-7-ene is sourced from PubChem (CID 100957888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).