3-methyl-3-[(Z)-prop-1-enoxy]butanal

C8H14O2 — CID 89353016

IUPAC3-methyl-3-[(Z)-prop-1-enoxy]butanal
SMILESC/C=C\OC(C)(C)CC=O
InChIInChI=1S/C8H14O2/c1-4-7-10-8(2,3)5-6-9/h4,6-7H,5H2,1-3H3/b7-4-
InChIKeyWTLCNFLBRJFCTH-DAXSKMNVSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds4

About 3-methyl-3-[(Z)-prop-1-enoxy]butanal

3-methyl-3-[(Z)-prop-1-enoxy]butanal (PubChem CID 89353016) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methyl-3-[(Z)-prop-1-enoxy]butanal.

Molecular Properties

Compound Name3-methyl-3-[(Z)-prop-1-enoxy]butanal
PubChem CID89353016
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methyl-3-[(Z)-prop-1-enoxy]butanal
SMILESC/C=C\OC(C)(C)CC=O
InChIInChI=1S/C8H14O2/c1-4-7-10-8(2,3)5-6-9/h4,6-7H,5H2,1-3H3/b7-4-
InChIKeyWTLCNFLBRJFCTH-DAXSKMNVSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(Z)-prop-1-enoxy]butanal?
The IUPAC name of 3-methyl-3-[(Z)-prop-1-enoxy]butanal (CID 89353016) is 3-methyl-3-[(Z)-prop-1-enoxy]butanal.
What is the SMILES notation for 3-methyl-3-[(Z)-prop-1-enoxy]butanal?
The canonical SMILES for 3-methyl-3-[(Z)-prop-1-enoxy]butanal is C/C=C\OC(C)(C)CC=O.
What is the InChIKey of 3-methyl-3-[(Z)-prop-1-enoxy]butanal?
The InChIKey is WTLCNFLBRJFCTH-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-7-10-8(2,3)5-6-9/h4,6-7H,5H2,1-3H3/b7-4-.
What are the key properties of 3-methyl-3-[(Z)-prop-1-enoxy]butanal?
3-methyl-3-[(Z)-prop-1-enoxy]butanal has a molecular weight of 142.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(Z)-prop-1-enoxy]butanal is sourced from PubChem (CID 89353016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).