3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene

C10H18O3 — CID 18619065

IUPAC3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene
SMILESC=C(OC(=C)C(C)OC)C(C)OC
InChIInChI=1S/C10H18O3/c1-7(11-5)9(3)13-10(4)8(2)12-6/h7-8H,3-4H2,1-2,5-6H3
InChIKeyYOALLCDXCUBSAE-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.10
Rot. Bonds6

About 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene

3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene (PubChem CID 18619065) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene
PubChem CID18619065
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene
SMILESC=C(OC(=C)C(C)OC)C(C)OC
InChIInChI=1S/C10H18O3/c1-7(11-5)9(3)13-10(4)8(2)12-6/h7-8H,3-4H2,1-2,5-6H3
InChIKeyYOALLCDXCUBSAE-UHFFFAOYSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene?
The IUPAC name of 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene (CID 18619065) is 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene.
What is the SMILES notation for 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene?
The canonical SMILES for 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene is C=C(OC(=C)C(C)OC)C(C)OC.
What is the InChIKey of 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene?
The InChIKey is YOALLCDXCUBSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(11-5)9(3)13-10(4)8(2)12-6/h7-8H,3-4H2,1-2,5-6H3.
What are the key properties of 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene?
3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene has a molecular weight of 186.25 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene is sourced from PubChem (CID 18619065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).