(2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal

C11H18O2 — CID 139583617

IUPAC(2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal
SMILESCCC/C(C=O)=C\C=C\C[C@@H](C)O
InChIInChI=1S/C11H18O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h4-5,8-10,13H,3,6-7H2,1-2H3/b5-4+,11-8+/t10-/m1/s1
InChIKeyVOMLZYDFZMSWGX-FMRBXYKSSA-N
MW182.26 g/mol
LogP2.24
Rot. Bonds6

About (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal

(2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal (PubChem CID 139583617) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal
PubChem CID139583617
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal
SMILESCCC/C(C=O)=C\C=C\C[C@@H](C)O
InChIInChI=1S/C11H18O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h4-5,8-10,13H,3,6-7H2,1-2H3/b5-4+,11-8+/t10-/m1/s1
InChIKeyVOMLZYDFZMSWGX-FMRBXYKSSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal?
The IUPAC name of (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal (CID 139583617) is (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal.
What is the SMILES notation for (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal?
The canonical SMILES for (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal is CCC/C(C=O)=C\C=C\C[C@@H](C)O.
What is the InChIKey of (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal?
The InChIKey is VOMLZYDFZMSWGX-FMRBXYKSSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-6-11(9-12)8-5-4-7-10(2)13/h4-5,8-10,13H,3,6-7H2,1-2H3/b5-4+,11-8+/t10-/m1/s1.
What are the key properties of (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal?
(2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal has a molecular weight of 182.26 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7R)-7-hydroxy-2-propylocta-2,4-dienal is sourced from PubChem (CID 139583617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).