6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene

C10H16O — CID 67420359

IUPAC6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene
SMILESCOCC1C(C)=CCC=C1C
InChIInChI=1S/C10H16O/c1-8-5-4-6-9(2)10(8)7-11-3/h5-6,10H,4,7H2,1-3H3
InChIKeyIPPPXYNYBQDBOS-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds2

About 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene

6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene (PubChem CID 67420359) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene.

Molecular Properties

Compound Name6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene
PubChem CID67420359
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene
SMILESCOCC1C(C)=CCC=C1C
InChIInChI=1S/C10H16O/c1-8-5-4-6-9(2)10(8)7-11-3/h5-6,10H,4,7H2,1-3H3
InChIKeyIPPPXYNYBQDBOS-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(-)-Lavandulol
CID 5464156
Lavandulol, (+-)-
CID 94060
2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
(Z)-Sesquilavandulol
CID 5352147
(S)-Lavandulol
CID 68133
(R)-Sesquilavandulol
CID 11831047
(E)-Sesquilavandulol
CID 5352145
3-Deuterio-3-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene
CID 146169453
(+/-)-Lavandulol, methyl ether
CID 12663425
2-Methoxy-4-methyl-1-propan-2-ylcyclohexa-1,4-diene
CID 11829814
1-Methylene-6-methoxymethyl-2,4-cyclohexadiene
CID 12596345
1-Methoxy-5,7-dimethyl-4-octene
CID 3022778

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene?
The IUPAC name of 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene (CID 67420359) is 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene.
What is the SMILES notation for 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene?
The canonical SMILES for 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene is COCC1C(C)=CCC=C1C.
What is the InChIKey of 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene?
The InChIKey is IPPPXYNYBQDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-5-4-6-9(2)10(8)7-11-3/h5-6,10H,4,7H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene?
6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene has a molecular weight of 152.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene is sourced from PubChem (CID 67420359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).