dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane

C6H7Cl2OP — CID 155716927

IUPACdichloro(cyclohexa-1,5-dien-1-yloxy)phosphane
SMILESClP(Cl)OC1=CCCC=C1
InChIInChI=1S/C6H7Cl2OP/c7-10(8)9-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyIXVVDSBPEURPMX-UHFFFAOYSA-N
MW197.00 g/mol
LogP3.94
Rot. Bonds2

About dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane

dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane (PubChem CID 155716927) has the molecular formula C6H7Cl2OP and a molecular weight of 197.00 g/mol. Its IUPAC name is dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane.

Molecular Properties

Compound Namedichloro(cyclohexa-1,5-dien-1-yloxy)phosphane
PubChem CID155716927
Molecular FormulaC6H7Cl2OP
Molecular Weight197.00 g/mol
Exact Mass195.96
IUPAC Namedichloro(cyclohexa-1,5-dien-1-yloxy)phosphane
SMILESClP(Cl)OC1=CCCC=C1
InChIInChI=1S/C6H7Cl2OP/c7-10(8)9-6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyIXVVDSBPEURPMX-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.00
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane?
The IUPAC name of dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane (CID 155716927) is dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane.
What is the SMILES notation for dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane?
The canonical SMILES for dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane is ClP(Cl)OC1=CCCC=C1.
What is the InChIKey of dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane?
The InChIKey is IXVVDSBPEURPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2OP/c7-10(8)9-6-4-2-1-3-5-6/h2,4-5H,1,3H2.
What are the key properties of dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane?
dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane has a molecular weight of 197.00 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(cyclohexa-1,5-dien-1-yloxy)phosphane is sourced from PubChem (CID 155716927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).