(Z)-3-(2-methylpropoxy)prop-2-enal

C7H12O2 — CID 6435498

IUPAC(Z)-3-(2-methylpropoxy)prop-2-enal
SMILESCC(C)CO/C=C\C=O
InChIInChI=1S/C7H12O2/c1-7(2)6-9-5-3-4-8/h3-5,7H,6H2,1-2H3/b5-3-
InChIKeyVUQLHNVNMZMSHD-HYXAFXHYSA-N
MW128.17 g/mol
LogP1.37
Rot. Bonds4

About (Z)-3-(2-methylpropoxy)prop-2-enal

(Z)-3-(2-methylpropoxy)prop-2-enal (PubChem CID 6435498) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-3-(2-methylpropoxy)prop-2-enal.

Molecular Properties

Compound Name(Z)-3-(2-methylpropoxy)prop-2-enal
PubChem CID6435498
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(Z)-3-(2-methylpropoxy)prop-2-enal
SMILESCC(C)CO/C=C\C=O
InChIInChI=1S/C7H12O2/c1-7(2)6-9-5-3-4-8/h3-5,7H,6H2,1-2H3/b5-3-
InChIKeyVUQLHNVNMZMSHD-HYXAFXHYSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methylpropoxy)prop-2-enal?
The IUPAC name of (Z)-3-(2-methylpropoxy)prop-2-enal (CID 6435498) is (Z)-3-(2-methylpropoxy)prop-2-enal.
What is the SMILES notation for (Z)-3-(2-methylpropoxy)prop-2-enal?
The canonical SMILES for (Z)-3-(2-methylpropoxy)prop-2-enal is CC(C)CO/C=C\C=O.
What is the InChIKey of (Z)-3-(2-methylpropoxy)prop-2-enal?
The InChIKey is VUQLHNVNMZMSHD-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(2)6-9-5-3-4-8/h3-5,7H,6H2,1-2H3/b5-3-.
What are the key properties of (Z)-3-(2-methylpropoxy)prop-2-enal?
(Z)-3-(2-methylpropoxy)prop-2-enal has a molecular weight of 128.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methylpropoxy)prop-2-enal is sourced from PubChem (CID 6435498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).