3-butan-2-yloxy-3-methylbut-1-ene

C9H18O — CID 123378137

IUPAC3-butan-2-yloxy-3-methylbut-1-ene
SMILESC=CC(C)(C)OC(C)CC
InChIInChI=1S/C9H18O/c1-6-8(3)10-9(4,5)7-2/h7-8H,2,6H2,1,3-5H3
InChIKeyJMFCBMPLALKHLF-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds4

About 3-butan-2-yloxy-3-methylbut-1-ene

3-butan-2-yloxy-3-methylbut-1-ene (PubChem CID 123378137) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-butan-2-yloxy-3-methylbut-1-ene.

Molecular Properties

Compound Name3-butan-2-yloxy-3-methylbut-1-ene
PubChem CID123378137
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-butan-2-yloxy-3-methylbut-1-ene
SMILESC=CC(C)(C)OC(C)CC
InChIInChI=1S/C9H18O/c1-6-8(3)10-9(4,5)7-2/h7-8H,2,6H2,1,3-5H3
InChIKeyJMFCBMPLALKHLF-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-butan-2-yloxy-3-methylbut-1-ene?
The IUPAC name of 3-butan-2-yloxy-3-methylbut-1-ene (CID 123378137) is 3-butan-2-yloxy-3-methylbut-1-ene.
What is the SMILES notation for 3-butan-2-yloxy-3-methylbut-1-ene?
The canonical SMILES for 3-butan-2-yloxy-3-methylbut-1-ene is C=CC(C)(C)OC(C)CC.
What is the InChIKey of 3-butan-2-yloxy-3-methylbut-1-ene?
The InChIKey is JMFCBMPLALKHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-8(3)10-9(4,5)7-2/h7-8H,2,6H2,1,3-5H3.
What are the key properties of 3-butan-2-yloxy-3-methylbut-1-ene?
3-butan-2-yloxy-3-methylbut-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-3-methylbut-1-ene is sourced from PubChem (CID 123378137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).