1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene

C11H22O2 — CID 19985307

IUPAC1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene
SMILESCOCC(COC)=C(C)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-9(11(2,3)4)10(7-12-5)8-13-6/h7-8H2,1-6H3
InChIKeyZIUROTWTQSUCME-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.64
Rot. Bonds4

About 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene

1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene (PubChem CID 19985307) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene
PubChem CID19985307
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene
SMILESCOCC(COC)=C(C)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-9(11(2,3)4)10(7-12-5)8-13-6/h7-8H2,1-6H3
InChIKeyZIUROTWTQSUCME-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3,3,4-trimethylpent-4-en-2-imine
CID 142560291
(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene
CID 143801880
1-methoxy-4,5,5-trimethylhexan-2-one
CID 115783352
N,2-dimethanidyl-3-(methoxymethyl)but-3-en-2-amine;tungsten(2+);yttrium
CID 91868213
4-hydroxy-1-methoxy-4-methylpentan-2-one
CID 155286363
5-methoxy-4,4-dimethylpentan-2-one
CID 54387019
(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
CID 126705697
methoxyethane;1-methoxypropan-2-one
CID 159894285
(E)-1-chloro-3-methoxy-2-methylprop-1-ene
CID 6382159
2,2-dimethylpropyl 2-methoxyacetate
CID 542358
4-amino-1-methoxy-4-methylpentan-2-one
CID 82417774
tert-butyl 2-methoxyethaneperoxoate
CID 22323612

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene (CID 19985307) is 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene is COCC(COC)=C(C)C(C)(C)C.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene?
The InChIKey is ZIUROTWTQSUCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(11(2,3)4)10(7-12-5)8-13-6/h7-8H2,1-6H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene?
1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene has a molecular weight of 186.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-3,4,4-trimethylpent-2-ene is sourced from PubChem (CID 19985307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).