[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane

C26H50O4P2 — CID 87645373

IUPAC[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
SMILESCCOP(=O)(C1CCCC1)C1CCCC1.CCOP(=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H27O2P.C12H23O2P/c1-2-16-17(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-14-15(13,11-7-3-4-8-11)12-9-5-6-10-12/h13-14H,2-12H2,1H3;11-12H,2-10H2,1H3
InChIKeyRBKIZRRFZOIOQS-UHFFFAOYSA-N
MW488.63 g/mol
LogP9.15
Rot. Bonds8

About [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane

[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane (PubChem CID 87645373) has the molecular formula C26H50O4P2 and a molecular weight of 488.63 g/mol. Its IUPAC name is [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane.

Molecular Properties

Compound Name[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
PubChem CID87645373
Molecular FormulaC26H50O4P2
Molecular Weight488.63 g/mol
Exact Mass488.32
IUPAC Name[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
SMILESCCOP(=O)(C1CCCC1)C1CCCC1.CCOP(=O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H27O2P.C12H23O2P/c1-2-16-17(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-14-15(13,11-7-3-4-8-11)12-9-5-6-10-12/h13-14H,2-12H2,1H3;11-12H,2-10H2,1H3
InChIKeyRBKIZRRFZOIOQS-UHFFFAOYSA-N
XLogP9.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane?
The IUPAC name of [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane (CID 87645373) is [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane.
What is the SMILES notation for [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane?
The canonical SMILES for [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane is CCOP(=O)(C1CCCC1)C1CCCC1.CCOP(=O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane?
The InChIKey is RBKIZRRFZOIOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O2P.C12H23O2P/c1-2-16-17(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-14-15(13,11-7-3-4-8-11)12-9-5-6-10-12/h13-14H,2-12H2,1H3;11-12H,2-10H2,1H3.
What are the key properties of [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane?
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane has a molecular weight of 488.63 g/mol, XLogP of 9.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane is sourced from PubChem (CID 87645373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).