6,6-dichloro-5-phosphanylhexanal

C6H11Cl2OP — CID 87231050

IUPAC6,6-dichloro-5-phosphanylhexanal
SMILESO=CCCCC(P)C(Cl)Cl
InChIInChI=1S/C6H11Cl2OP/c7-6(8)5(10)3-1-2-4-9/h4-6H,1-3,10H2
InChIKeyJUMQDBXNBHDPLX-UHFFFAOYSA-N
MW201.03 g/mol
LogP2.40
Rot. Bonds5

About 6,6-dichloro-5-phosphanylhexanal

6,6-dichloro-5-phosphanylhexanal (PubChem CID 87231050) has the molecular formula C6H11Cl2OP and a molecular weight of 201.03 g/mol. Its IUPAC name is 6,6-dichloro-5-phosphanylhexanal.

Molecular Properties

Compound Name6,6-dichloro-5-phosphanylhexanal
PubChem CID87231050
Molecular FormulaC6H11Cl2OP
Molecular Weight201.03 g/mol
Exact Mass199.99
IUPAC Name6,6-dichloro-5-phosphanylhexanal
SMILESO=CCCCC(P)C(Cl)Cl
InChIInChI=1S/C6H11Cl2OP/c7-6(8)5(10)3-1-2-4-9/h4-6H,1-3,10H2
InChIKeyJUMQDBXNBHDPLX-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.03
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxyoctanal
CID 54248840
pentadecanedial
CID 22887412
hydron;pentanedial
CID 87858118
pentanedial;silane
CID 173075190
12-hydroxytetradecanal
CID 90714775
6-hydroxydecanal
CID 86178467
alumane;5-methylheptanal
CID 175597367
5,5-dinitropentanal
CID 173217833
4-chloro-4-fluorobutanal
CID 175421557
CID 20816022
CID 20816022
1-chloro-6-oxohexane-2-sulfinate
CID 174303226
hydrazine;pentanedial
CID 19882033

Frequently Asked Questions

What is the IUPAC name of 6,6-dichloro-5-phosphanylhexanal?
The IUPAC name of 6,6-dichloro-5-phosphanylhexanal (CID 87231050) is 6,6-dichloro-5-phosphanylhexanal.
What is the SMILES notation for 6,6-dichloro-5-phosphanylhexanal?
The canonical SMILES for 6,6-dichloro-5-phosphanylhexanal is O=CCCCC(P)C(Cl)Cl.
What is the InChIKey of 6,6-dichloro-5-phosphanylhexanal?
The InChIKey is JUMQDBXNBHDPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2OP/c7-6(8)5(10)3-1-2-4-9/h4-6H,1-3,10H2.
What are the key properties of 6,6-dichloro-5-phosphanylhexanal?
6,6-dichloro-5-phosphanylhexanal has a molecular weight of 201.03 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichloro-5-phosphanylhexanal is sourced from PubChem (CID 87231050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).