(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal

C10H12O2 — CID 82111259

IUPAC(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
SMILESCC(C)/C(C=O)=C\c1ccco1
InChIInChI=1S/C10H12O2/c1-8(2)9(7-11)6-10-4-3-5-12-10/h3-8H,1-2H3/b9-6-
InChIKeyOOBUGTPFVHBVBQ-TWGQIWQCSA-N
MW164.20 g/mol
LogP2.52
Rot. Bonds3

About (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal

(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal (PubChem CID 82111259) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal.

Molecular Properties

Compound Name(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
PubChem CID82111259
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
SMILESCC(C)/C(C=O)=C\c1ccco1
InChIInChI=1S/C10H12O2/c1-8(2)9(7-11)6-10-4-3-5-12-10/h3-8H,1-2H3/b9-6-
InChIKeyOOBUGTPFVHBVBQ-TWGQIWQCSA-N
XLogP2.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
CID 14939228
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
CID 102492012
(2Z)-2-[(3-bromofuran-2-yl)methylidene]-3-methylbutanal
CID 106889664
furan-2-carbaldehyde
CID 76972982
(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
CID 59665521
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819
(Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile
CID 50990821
furan-2-carbaldehyde;nickel
CID 174724529
CID 175710332
CID 175710332
azane;furan-2-carbaldehyde
CID 19372392
furan-2-carbaldehyde;methoxymethane
CID 175302588

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal?
The IUPAC name of (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal (CID 82111259) is (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal.
What is the SMILES notation for (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal?
The canonical SMILES for (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal is CC(C)/C(C=O)=C\c1ccco1.
What is the InChIKey of (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal?
The InChIKey is OOBUGTPFVHBVBQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H12O2/c1-8(2)9(7-11)6-10-4-3-5-12-10/h3-8H,1-2H3/b9-6-.
What are the key properties of (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal?
(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal has a molecular weight of 164.20 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(furan-2-ylmethylidene)-3-methylbutanal is sourced from PubChem (CID 82111259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).