2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene

C12H24O3 — CID 59317576

IUPAC2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene
SMILESC=C(OCC(CC)OCCOC)C(C)C
InChIInChI=1S/C12H24O3/c1-6-12(14-8-7-13-5)9-15-11(4)10(2)3/h10,12H,4,6-9H2,1-3,5H3
InChIKeyDDILHPBEGRTUSQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.61
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene

2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene (PubChem CID 59317576) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene
PubChem CID59317576
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene
SMILESC=C(OCC(CC)OCCOC)C(C)C
InChIInChI=1S/C12H24O3/c1-6-12(14-8-7-13-5)9-15-11(4)10(2)3/h10,12H,4,6-9H2,1-3,5H3
InChIKeyDDILHPBEGRTUSQ-UHFFFAOYSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene?
The IUPAC name of 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene (CID 59317576) is 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene?
The canonical SMILES for 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene is C=C(OCC(CC)OCCOC)C(C)C.
What is the InChIKey of 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene?
The InChIKey is DDILHPBEGRTUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-12(14-8-7-13-5)9-15-11(4)10(2)3/h10,12H,4,6-9H2,1-3,5H3.
What are the key properties of 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene?
2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene has a molecular weight of 216.32 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)butoxy]-3-methylbut-1-ene is sourced from PubChem (CID 59317576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).