bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene

C20H27O3P — CID 87156168

IUPACbis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene
SMILESO=P(OCC1CC=CCC1)(OCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C20H27O3P/c21-24(20-14-8-3-9-15-20,22-16-18-10-4-1-5-11-18)23-17-19-12-6-2-7-13-19/h1-4,6,8-9,14-15,18-19H,5,7,10-13,16-17H2
InChIKeyRSXRECBGZGOYNV-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.25
Rot. Bonds7

About bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene

bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene (PubChem CID 87156168) has the molecular formula C20H27O3P and a molecular weight of 346.41 g/mol. Its IUPAC name is bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene.

Molecular Properties

Compound Namebis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene
PubChem CID87156168
Molecular FormulaC20H27O3P
Molecular Weight346.41 g/mol
Exact Mass346.17
IUPAC Namebis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene
SMILESO=P(OCC1CC=CCC1)(OCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C20H27O3P/c21-24(20-14-8-3-9-15-20,22-16-18-10-4-1-5-11-18)23-17-19-12-6-2-7-13-19/h1-4,6,8-9,14-15,18-19H,5,7,10-13,16-17H2
InChIKeyRSXRECBGZGOYNV-UHFFFAOYSA-N
XLogP5.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene?
The IUPAC name of bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene (CID 87156168) is bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene.
What is the SMILES notation for bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene?
The canonical SMILES for bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene is O=P(OCC1CC=CCC1)(OCC1CC=CCC1)c1ccccc1.
What is the InChIKey of bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene?
The InChIKey is RSXRECBGZGOYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O3P/c21-24(20-14-8-3-9-15-20,22-16-18-10-4-1-5-11-18)23-17-19-12-6-2-7-13-19/h1-4,6,8-9,14-15,18-19H,5,7,10-13,16-17H2.
What are the key properties of bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene?
bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene has a molecular weight of 346.41 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohex-3-en-1-ylmethoxy)phosphorylbenzene is sourced from PubChem (CID 87156168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).