1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene

C12H20O2 — CID 542456

IUPAC1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(COCOC)CC1
InChIInChI=1S/C12H20O2/c1-10(2)12-6-4-11(5-7-12)8-14-9-13-3/h4,12H,1,5-9H2,2-3H3
InChIKeyFZSLVXZVQUCMNE-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.91
Rot. Bonds5

About 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene

1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene (PubChem CID 542456) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene
PubChem CID542456
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(COCOC)CC1
InChIInChI=1S/C12H20O2/c1-10(2)12-6-4-11(5-7-12)8-14-9-13-3/h4,12H,1,5-9H2,2-3H3
InChIKeyFZSLVXZVQUCMNE-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perillaldehyde propyleneglycol acetal
CID 71587448
4-(1-Methylvinyl)cyclohex-1-ene-1-methyl formate
CID 122512
2-methyl-2-[(4R)-4-methylcyclohexen-1-yl]-1,3-dioxolane
CID 139467954
Methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
CID 11106628
(s)-4-(Prop-1-en-2-yl)-1-[(vinyloxy)methyl]cyclohex-1-ene
CID 12140153
Methyl (4-prop-1-en-2-ylcyclohexen-1-yl)methyl carbonate
CID 13763991
[3-(Methoxycarbonyloxymethyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methyl methyl carbonate
CID 101413063
(4R)-1-(methoxymethyl)-4-prop-1-en-2-ylcyclohexene
CID 162403390
2-[4-(Methoxymethoxymethyl)cyclohex-3-enyl]propan-2-ol
CID 542318
3-Methoxymethoxy-1,5,5-trimethyl-cyclohexene
CID 542405
3-Methoxymethoxy-1-methylcyclohexene
CID 542464
1-(1-Methoxymethoxyethyl)cyclohexene
CID 542494

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene (CID 542456) is 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(COCOC)CC1.
What is the InChIKey of 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene?
The InChIKey is FZSLVXZVQUCMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(2)12-6-4-11(5-7-12)8-14-9-13-3/h4,12H,1,5-9H2,2-3H3.
What are the key properties of 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene?
1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene has a molecular weight of 196.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxymethyl)-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 542456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).