2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane

C11H22O3 — CID 123149525

IUPAC2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane
SMILESCOC(C)=C(C)OC(C)C(C)(C)OC
InChIInChI=1S/C11H22O3/c1-8(12-6)9(2)14-10(3)11(4,5)13-7/h10H,1-7H3
InChIKeySPLBCSJRISSKHO-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.71
Rot. Bonds5

About 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane

2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane (PubChem CID 123149525) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane.

Molecular Properties

Compound Name2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane
PubChem CID123149525
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane
SMILESCOC(C)=C(C)OC(C)C(C)(C)OC
InChIInChI=1S/C11H22O3/c1-8(12-6)9(2)14-10(3)11(4,5)13-7/h10H,1-7H3
InChIKeySPLBCSJRISSKHO-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-2,3-dimethyl-3-(3-methylbut-2-en-2-yloxy)butane
CID 53644627
2-Methoxy-3-(2-methoxyethoxy)but-2-ene
CID 123686647
3-ethyl-3,5,6-trimethyl-2H-1,4-dioxine
CID 143588141
2-Butene, 2-(2-methoxyethyl)-3-methyl
CID 520971

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane?
The IUPAC name of 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane (CID 123149525) is 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane.
What is the SMILES notation for 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane?
The canonical SMILES for 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane is COC(C)=C(C)OC(C)C(C)(C)OC.
What is the InChIKey of 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane?
The InChIKey is SPLBCSJRISSKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(12-6)9(2)14-10(3)11(4,5)13-7/h10H,1-7H3.
What are the key properties of 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane?
2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane has a molecular weight of 202.29 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methoxybut-2-en-2-yloxy)-2-methylbutane is sourced from PubChem (CID 123149525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).