1-[2-(2-methylprop-2-enoxy)ethoxy]butane

C10H20O2 — CID 87922728

IUPAC1-[2-(2-methylprop-2-enoxy)ethoxy]butane
SMILESC=C(C)COCCOCCCC
InChIInChI=1S/C10H20O2/c1-4-5-6-11-7-8-12-9-10(2)3/h2,4-9H2,1,3H3
InChIKeyHWNGBIAFAJZUIB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.40
Rot. Bonds8

About 1-[2-(2-methylprop-2-enoxy)ethoxy]butane

1-[2-(2-methylprop-2-enoxy)ethoxy]butane (PubChem CID 87922728) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)ethoxy]butane.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)ethoxy]butane
PubChem CID87922728
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-[2-(2-methylprop-2-enoxy)ethoxy]butane
SMILESC=C(C)COCCOCCCC
InChIInChI=1S/C10H20O2/c1-4-5-6-11-7-8-12-9-10(2)3/h2,4-9H2,1,3H3
InChIKeyHWNGBIAFAJZUIB-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.40
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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Related Compounds

1-(2-methylprop-2-enoxy)dodecane
CID 156690078
1-[1-[2-(2-methylprop-2-enoxy)ethoxy]propan-2-yloxy]butane
CID 58362293
CID 136913587
CID 136913587
1-[3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-yl]-4-prop-1-en-2-ylbenzene;ethane
CID 163241395
dibutoxy-[3-(2-methylprop-2-enoxy)propyl]-propylsilane
CID 88829636
2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 12693581
ethane;1-(2-propoxyethoxy)butane
CID 164535746
3-butoxyprop-1-en-2-olate
CID 150634634
CID 59269543
CID 59269543
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
CID 114465862
1-butoxybutane;propan-2-one
CID 18424800

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethoxy]butane?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethoxy]butane (CID 87922728) is 1-[2-(2-methylprop-2-enoxy)ethoxy]butane.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)ethoxy]butane?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)ethoxy]butane is C=C(C)COCCOCCCC.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)ethoxy]butane?
The InChIKey is HWNGBIAFAJZUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-11-7-8-12-9-10(2)3/h2,4-9H2,1,3H3.
What are the key properties of 1-[2-(2-methylprop-2-enoxy)ethoxy]butane?
1-[2-(2-methylprop-2-enoxy)ethoxy]butane has a molecular weight of 172.27 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)ethoxy]butane is sourced from PubChem (CID 87922728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).