(2R)-2-cyclohexa-1,5-dien-1-yloxypropanal

C9H12O2 — CID 88943880

IUPAC(2R)-2-cyclohexa-1,5-dien-1-yloxypropanal
SMILESC[C@H](C=O)OC1=CCCC=C1
InChIInChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h3,5-8H,2,4H2,1H3/t8-/m1/s1
InChIKeyIGGIMMPAELNRSI-MRVPVSSYSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds3

About (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal

(2R)-2-cyclohexa-1,5-dien-1-yloxypropanal (PubChem CID 88943880) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal.

Molecular Properties

Compound Name(2R)-2-cyclohexa-1,5-dien-1-yloxypropanal
PubChem CID88943880
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(2R)-2-cyclohexa-1,5-dien-1-yloxypropanal
SMILESC[C@H](C=O)OC1=CCCC=C1
InChIInChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h3,5-8H,2,4H2,1H3/t8-/m1/s1
InChIKeyIGGIMMPAELNRSI-MRVPVSSYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal?
The IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal (CID 88943880) is (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal.
What is the SMILES notation for (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal?
The canonical SMILES for (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal is C[C@H](C=O)OC1=CCCC=C1.
What is the InChIKey of (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal?
The InChIKey is IGGIMMPAELNRSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h3,5-8H,2,4H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal?
(2R)-2-cyclohexa-1,5-dien-1-yloxypropanal has a molecular weight of 152.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexa-1,5-dien-1-yloxypropanal is sourced from PubChem (CID 88943880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).