3-(methoxymethoxy)-1,5,5-trimethylcyclohexene

C11H20O2 — CID 542405

IUPAC3-(methoxymethoxy)-1,5,5-trimethylcyclohexene
SMILESCOCOC1C=C(C)CC(C)(C)C1
InChIInChI=1S/C11H20O2/c1-9-5-10(13-8-12-4)7-11(2,3)6-9/h5,10H,6-8H2,1-4H3
InChIKeyPBDVRZOERADAFN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds3

About 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene

3-(methoxymethoxy)-1,5,5-trimethylcyclohexene (PubChem CID 542405) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name3-(methoxymethoxy)-1,5,5-trimethylcyclohexene
PubChem CID542405
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(methoxymethoxy)-1,5,5-trimethylcyclohexene
SMILESCOCOC1C=C(C)CC(C)(C)C1
InChIInChI=1S/C11H20O2/c1-9-5-10(13-8-12-4)7-11(2,3)6-9/h5,10H,6-8H2,1-4H3
InChIKeyPBDVRZOERADAFN-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-1,5,5-trimethylcyclohexene
CID 12233157
3,3,4,11-Tetramethyl-8-prop-1-en-2-yl-1,5-dioxaspiro[5.5]undec-10-ene
CID 403153
1-Tert-butyl-6-(methoxymethoxy)-3-(4,4,4-trifluorobut-1-en-2-yl)cyclohexene
CID 164108465
7,9,9-Trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
CID 10845495
Methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
CID 11106628
6-(Ethoxymethoxy)-1-prop-2-enylcyclohexene
CID 86034416
1,3,3-trimethyl-2-[(E)-4,6,6-triethoxy-3-methylhex-2-enyl]cyclohexene
CID 134990976
3-(1,1-Dimethoxyethoxy)-1,5,5-trimethylcyclohexene
CID 135039529
2-[(3,5,5-Trimethylcyclohex-2-en-1-yl)oxy]oxane
CID 330572
Cyclohexene, 4-isopropenyl-1-methoxymethoxymethyl-
CID 542456
3-Methoxymethoxy-1-methylcyclohexene
CID 542464
1-(1-Methoxymethoxyethyl)cyclohexene
CID 542494

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene?
The IUPAC name of 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene (CID 542405) is 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene.
What is the SMILES notation for 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene?
The canonical SMILES for 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene is COCOC1C=C(C)CC(C)(C)C1.
What is the InChIKey of 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene?
The InChIKey is PBDVRZOERADAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-5-10(13-8-12-4)7-11(2,3)6-9/h5,10H,6-8H2,1-4H3.
What are the key properties of 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene?
3-(methoxymethoxy)-1,5,5-trimethylcyclohexene has a molecular weight of 184.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 542405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).