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

C13H26O2 — CID 57115596

IUPAC1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene
SMILESCOCC(COC)=C(C(C)C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-10(2)12(13(3,4)5)11(8-14-6)9-15-7/h10H,8-9H2,1-7H3
InChIKeyHKNNHFARMYANCM-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.28
Rot. Bonds5

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

1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene (PubChem CID 57115596) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene
PubChem CID57115596
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene
SMILESCOCC(COC)=C(C(C)C)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-10(2)12(13(3,4)5)11(8-14-6)9-15-7/h10H,8-9H2,1-7H3
InChIKeyHKNNHFARMYANCM-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.28
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)-4,4-dimethyl-3-propan-2-ylpent-2-ene?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene (CID 57115596) is 1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene is COCC(COC)=C(C(C)C)C(C)(C)C.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene?
The InChIKey is HKNNHFARMYANCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)12(13(3,4)5)11(8-14-6)9-15-7/h10H,8-9H2,1-7H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene?
1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene has a molecular weight of 214.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-4,4-dimethyl-3-propan-2-ylpent-2-ene is sourced from PubChem (CID 57115596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).