1-ethenoxy-2,2-dimethylbutane;propane

C11H24O — CID 143158636

IUPAC1-ethenoxy-2,2-dimethylbutane;propane
SMILESC=COCC(C)(C)CC.CCC
InChIInChI=1S/C8H16O.C3H8/c1-5-8(3,4)7-9-6-2;1-3-2/h6H,2,5,7H2,1,3-4H3;3H2,1-2H3
InChIKeyYYDDNAPCWNGASL-UHFFFAOYSA-N
MW172.31 g/mol
LogP4.00
Rot. Bonds4

About 1-ethenoxy-2,2-dimethylbutane;propane

1-ethenoxy-2,2-dimethylbutane;propane (PubChem CID 143158636) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 1-ethenoxy-2,2-dimethylbutane;propane.

Molecular Properties

Compound Name1-ethenoxy-2,2-dimethylbutane;propane
PubChem CID143158636
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name1-ethenoxy-2,2-dimethylbutane;propane
SMILESC=COCC(C)(C)CC.CCC
InChIInChI=1S/C8H16O.C3H8/c1-5-8(3,4)7-9-6-2;1-3-2/h6H,2,5,7H2,1,3-4H3;3H2,1-2H3
InChIKeyYYDDNAPCWNGASL-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-ethenoxy-2,2-dimethylbutane;propane?
The IUPAC name of 1-ethenoxy-2,2-dimethylbutane;propane (CID 143158636) is 1-ethenoxy-2,2-dimethylbutane;propane.
What is the SMILES notation for 1-ethenoxy-2,2-dimethylbutane;propane?
The canonical SMILES for 1-ethenoxy-2,2-dimethylbutane;propane is C=COCC(C)(C)CC.CCC.
What is the InChIKey of 1-ethenoxy-2,2-dimethylbutane;propane?
The InChIKey is YYDDNAPCWNGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C3H8/c1-5-8(3,4)7-9-6-2;1-3-2/h6H,2,5,7H2,1,3-4H3;3H2,1-2H3.
What are the key properties of 1-ethenoxy-2,2-dimethylbutane;propane?
1-ethenoxy-2,2-dimethylbutane;propane has a molecular weight of 172.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2-dimethylbutane;propane is sourced from PubChem (CID 143158636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).