3-methoxy-3-methyl-1-prop-2-enoxybutane

C9H18O2 — CID 44602792

IUPAC3-methoxy-3-methyl-1-prop-2-enoxybutane
SMILESC=CCOCCC(C)(C)OC
InChIInChI=1S/C9H18O2/c1-5-7-11-8-6-9(2,3)10-4/h5H,1,6-8H2,2-4H3
InChIKeyUXBKPHASQDLUKP-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.00
Rot. Bonds6

About 3-methoxy-3-methyl-1-prop-2-enoxybutane

3-methoxy-3-methyl-1-prop-2-enoxybutane (PubChem CID 44602792) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-prop-2-enoxybutane.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-prop-2-enoxybutane
PubChem CID44602792
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-methoxy-3-methyl-1-prop-2-enoxybutane
SMILESC=CCOCCC(C)(C)OC
InChIInChI=1S/C9H18O2/c1-5-7-11-8-6-9(2,3)10-4/h5H,1,6-8H2,2-4H3
InChIKeyUXBKPHASQDLUKP-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-prop-2-enoxybutane?
The IUPAC name of 3-methoxy-3-methyl-1-prop-2-enoxybutane (CID 44602792) is 3-methoxy-3-methyl-1-prop-2-enoxybutane.
What is the SMILES notation for 3-methoxy-3-methyl-1-prop-2-enoxybutane?
The canonical SMILES for 3-methoxy-3-methyl-1-prop-2-enoxybutane is C=CCOCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-1-prop-2-enoxybutane?
The InChIKey is UXBKPHASQDLUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-7-11-8-6-9(2,3)10-4/h5H,1,6-8H2,2-4H3.
What are the key properties of 3-methoxy-3-methyl-1-prop-2-enoxybutane?
3-methoxy-3-methyl-1-prop-2-enoxybutane has a molecular weight of 158.24 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-prop-2-enoxybutane is sourced from PubChem (CID 44602792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).