2,3-dimethyl-2-prop-2-ynoxybutane

C9H16O — CID 57184509

IUPAC2,3-dimethyl-2-prop-2-ynoxybutane
SMILESC#CCOC(C)(C)C(C)C
InChIInChI=1S/C9H16O/c1-6-7-10-9(4,5)8(2)3/h1,8H,7H2,2-5H3
InChIKeyJKXHMMPEJAFFQW-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds3

About 2,3-dimethyl-2-prop-2-ynoxybutane

2,3-dimethyl-2-prop-2-ynoxybutane (PubChem CID 57184509) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,3-dimethyl-2-prop-2-ynoxybutane.

Molecular Properties

Compound Name2,3-dimethyl-2-prop-2-ynoxybutane
PubChem CID57184509
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,3-dimethyl-2-prop-2-ynoxybutane
SMILESC#CCOC(C)(C)C(C)C
InChIInChI=1S/C9H16O/c1-6-7-10-9(4,5)8(2)3/h1,8H,7H2,2-5H3
InChIKeyJKXHMMPEJAFFQW-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-prop-2-ynoxybutane?
The IUPAC name of 2,3-dimethyl-2-prop-2-ynoxybutane (CID 57184509) is 2,3-dimethyl-2-prop-2-ynoxybutane.
What is the SMILES notation for 2,3-dimethyl-2-prop-2-ynoxybutane?
The canonical SMILES for 2,3-dimethyl-2-prop-2-ynoxybutane is C#CCOC(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-prop-2-ynoxybutane?
The InChIKey is JKXHMMPEJAFFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6-7-10-9(4,5)8(2)3/h1,8H,7H2,2-5H3.
What are the key properties of 2,3-dimethyl-2-prop-2-ynoxybutane?
2,3-dimethyl-2-prop-2-ynoxybutane has a molecular weight of 140.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-prop-2-ynoxybutane is sourced from PubChem (CID 57184509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).