1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene

C12H24O2 — CID 57145563

IUPAC1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene
SMILESCOCC(COC)=C(C(C)C)C(C)C
InChIInChI=1S/C12H24O2/c1-9(2)12(10(3)4)11(7-13-5)8-14-6/h9-10H,7-8H2,1-6H3
InChIKeyBMSVSEIUOIXGQD-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.89
Rot. Bonds6

About 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene

1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene (PubChem CID 57145563) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene
PubChem CID57145563
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene
SMILESCOCC(COC)=C(C(C)C)C(C)C
InChIInChI=1S/C12H24O2/c1-9(2)12(10(3)4)11(7-13-5)8-14-6/h9-10H,7-8H2,1-6H3
InChIKeyBMSVSEIUOIXGQD-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene (CID 57145563) is 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene is COCC(COC)=C(C(C)C)C(C)C.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene?
The InChIKey is BMSVSEIUOIXGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)12(10(3)4)11(7-13-5)8-14-6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene?
1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene has a molecular weight of 200.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-4-methyl-3-propan-2-ylpent-2-ene is sourced from PubChem (CID 57145563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).