1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene

C13H22O2 — CID 142115726

IUPAC1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene
SMILESC=C1CCC(C)(COC)C1.C=C=COC
InChIInChI=1S/C9H16O.C4H6O/c1-8-4-5-9(2,6-8)7-10-3;1-3-4-5-2/h1,4-7H2,2-3H3;4H,1H2,2H3
InChIKeyBIUGEHXEYHNYJG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.31
Rot. Bonds3

About 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene

1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene (PubChem CID 142115726) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene.

Molecular Properties

Compound Name1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene
PubChem CID142115726
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene
SMILESC=C1CCC(C)(COC)C1.C=C=COC
InChIInChI=1S/C9H16O.C4H6O/c1-8-4-5-9(2,6-8)7-10-3;1-3-4-5-2/h1,4-7H2,2-3H3;4H,1H2,2H3
InChIKeyBIUGEHXEYHNYJG-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,5-Bis(methoxymethyl)-7-methylocta-1,2,7-triene
CID 135079904
(1R)-1-(ethylperoxymethyl)-3-methylidenecyclopentane
CID 88987319
(1S)-1-(methoxymethyl)-3-methylidenecyclopentane
CID 89419270
3-(2,2-Dimethylpropyl)-4-methyl-2,3-dihydrofuran
CID 91304644
4-Ethyl-4-methyl-3-methylidene-1-propoxyhexane
CID 123390908
2,3,3-Trimethyl-6-prop-1-en-2-yloxyhex-1-ene
CID 124147316
3,3,4-triethyl-2H-furan
CID 140043392
1-(1-Ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane
CID 142115926
1-Methyl-1-[1-(2-methylpropoxy)ethenyl]cyclopentane
CID 160077989
(1R)-1-(methoxymethyl)-3-methylidenecyclopentane
CID 169850977
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxepane
CID 176603108
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene?
The IUPAC name of 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene (CID 142115726) is 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene.
What is the SMILES notation for 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene?
The canonical SMILES for 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene is C=C1CCC(C)(COC)C1.C=C=COC.
What is the InChIKey of 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene?
The InChIKey is BIUGEHXEYHNYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C4H6O/c1-8-4-5-9(2,6-8)7-10-3;1-3-4-5-2/h1,4-7H2,2-3H3;4H,1H2,2H3.
What are the key properties of 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene?
1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene has a molecular weight of 210.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene is sourced from PubChem (CID 142115726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).