2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal

C9H16O2 — CID 143076123

IUPAC2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal
SMILESC/C=C(/C)COC(C)(C)C=O
InChIInChI=1S/C9H16O2/c1-5-8(2)6-11-9(3,4)7-10/h5,7H,6H2,1-4H3/b8-5-
InChIKeySCRUXCLNZCNAEU-YVMONPNESA-N
MW156.22 g/mol
LogP1.95
Rot. Bonds4

About 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal

2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal (PubChem CID 143076123) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal.

Molecular Properties

Compound Name2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal
PubChem CID143076123
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal
SMILESC/C=C(/C)COC(C)(C)C=O
InChIInChI=1S/C9H16O2/c1-5-8(2)6-11-9(3,4)7-10/h5,7H,6H2,1-4H3/b8-5-
InChIKeySCRUXCLNZCNAEU-YVMONPNESA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal?
The IUPAC name of 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal (CID 143076123) is 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal.
What is the SMILES notation for 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal?
The canonical SMILES for 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal is C/C=C(/C)COC(C)(C)C=O.
What is the InChIKey of 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal?
The InChIKey is SCRUXCLNZCNAEU-YVMONPNESA-N. The full InChI is InChI=1S/C9H16O2/c1-5-8(2)6-11-9(3,4)7-10/h5,7H,6H2,1-4H3/b8-5-.
What are the key properties of 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal?
2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal has a molecular weight of 156.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(Z)-2-methylbut-2-enoxy]propanal is sourced from PubChem (CID 143076123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).