4-(methoxymethyl)-1,2-dimethylcyclohexene

C10H18O — CID 13208452

IUPAC4-(methoxymethyl)-1,2-dimethylcyclohexene
SMILESCOCC1CCC(C)=C(C)C1
InChIInChI=1S/C10H18O/c1-8-4-5-10(7-11-3)6-9(8)2/h10H,4-7H2,1-3H3
InChIKeyLXBJOIIUFCJBKI-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds2

About 4-(methoxymethyl)-1,2-dimethylcyclohexene

4-(methoxymethyl)-1,2-dimethylcyclohexene (PubChem CID 13208452) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name4-(methoxymethyl)-1,2-dimethylcyclohexene
PubChem CID13208452
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4-(methoxymethyl)-1,2-dimethylcyclohexene
SMILESCOCC1CCC(C)=C(C)C1
InChIInChI=1S/C10H18O/c1-8-4-5-10(7-11-3)6-9(8)2/h10H,4-7H2,1-3H3
InChIKeyLXBJOIIUFCJBKI-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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

2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
4-(1-Methoxyethenyl)-1,2-dimethylcyclohexene
CID 13208451
Carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]chromium
CID 134889398
(3,4-Dimethylcyclohex-3-en-1-yl)methanol
CID 145272
1-Ethyl-4-fluoro-6-(methoxymethyl)cyclohexene
CID 169852499
(3,4,6-Trimethylcyclohex-3-en-1-yl)methanol
CID 21972104
Carbon monoxide;[(3,4-dimethylcyclohex-3-en-1-yl)-methoxymethylidene]tungsten
CID 134889278
1-Ethoxy-1-methyl-4-propan-2-ylidenecyclohexane
CID 134995603
(6-Methoxyhex-2-EN-2-YL)cyclohexane
CID 3022782
(5-Methoxy-1-methylpenten-1-yl)cyclohexane
CID 6366278
(6R)-8-methoxy-2,6-dimethyloct-2-ene
CID 10877563
4-(Methoxymethyl)-1-methylcyclohexene
CID 12523889

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1,2-dimethylcyclohexene?
The IUPAC name of 4-(methoxymethyl)-1,2-dimethylcyclohexene (CID 13208452) is 4-(methoxymethyl)-1,2-dimethylcyclohexene.
What is the SMILES notation for 4-(methoxymethyl)-1,2-dimethylcyclohexene?
The canonical SMILES for 4-(methoxymethyl)-1,2-dimethylcyclohexene is COCC1CCC(C)=C(C)C1.
What is the InChIKey of 4-(methoxymethyl)-1,2-dimethylcyclohexene?
The InChIKey is LXBJOIIUFCJBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8-4-5-10(7-11-3)6-9(8)2/h10H,4-7H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-1,2-dimethylcyclohexene?
4-(methoxymethyl)-1,2-dimethylcyclohexene has a molecular weight of 154.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,2-dimethylcyclohexene is sourced from PubChem (CID 13208452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).