4-cyclohexa-1,3-dien-1-yloxybutanal

C10H14O2 — CID 163226601

IUPAC4-cyclohexa-1,3-dien-1-yloxybutanal
SMILESO=CCCCOC1=CC=CCC1
InChIInChI=1S/C10H14O2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-2,6,8H,3-5,7,9H2
InChIKeyYFSZWOUKLUGSKE-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds5

About 4-cyclohexa-1,3-dien-1-yloxybutanal

4-cyclohexa-1,3-dien-1-yloxybutanal (PubChem CID 163226601) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yloxybutanal.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yloxybutanal
PubChem CID163226601
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-cyclohexa-1,3-dien-1-yloxybutanal
SMILESO=CCCCOC1=CC=CCC1
InChIInChI=1S/C10H14O2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-2,6,8H,3-5,7,9H2
InChIKeyYFSZWOUKLUGSKE-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yloxybutanal?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yloxybutanal (CID 163226601) is 4-cyclohexa-1,3-dien-1-yloxybutanal.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yloxybutanal?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yloxybutanal is O=CCCCOC1=CC=CCC1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yloxybutanal?
The InChIKey is YFSZWOUKLUGSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-2,6,8H,3-5,7,9H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-yloxybutanal?
4-cyclohexa-1,3-dien-1-yloxybutanal has a molecular weight of 166.22 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yloxybutanal is sourced from PubChem (CID 163226601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).