[butoxy(methoxy)phosphoryl]cyclohexane

C11H23O3P — CID 87127819

IUPAC[butoxy(methoxy)phosphoryl]cyclohexane
SMILESCCCCOP(=O)(OC)C1CCCCC1
InChIInChI=1S/C11H23O3P/c1-3-4-10-14-15(12,13-2)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
InChIKeyBECJDVAPJMTIIS-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.98
Rot. Bonds6

About [butoxy(methoxy)phosphoryl]cyclohexane

[butoxy(methoxy)phosphoryl]cyclohexane (PubChem CID 87127819) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is [butoxy(methoxy)phosphoryl]cyclohexane.

Molecular Properties

Compound Name[butoxy(methoxy)phosphoryl]cyclohexane
PubChem CID87127819
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name[butoxy(methoxy)phosphoryl]cyclohexane
SMILESCCCCOP(=O)(OC)C1CCCCC1
InChIInChI=1S/C11H23O3P/c1-3-4-10-14-15(12,13-2)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
InChIKeyBECJDVAPJMTIIS-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(2-nonylsulfanylethoxy)phosphoryl]cyclohexane
CID 71395209
[cyclohexyl(methoxy)phosphoryl] hypofluorite
CID 175039350
[butyl(methoxy)phosphoryl]cyclopentane
CID 174817871
[butoxy(butyl)phosphoryl]oxycyclohexane
CID 87506579
[ethyl(methoxy)phosphoryl]cyclohexane
CID 66729718
cyclohexyl nonyl hydrogen phosphate
CID 163645473
cyclohexyl decyl phosphate
CID 23362679
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
2-dibutoxyphosphoryl-1-nitrocyclohexan-1-ol
CID 10449722
1-[dibutoxyphosphorylmethyl(methoxy)phosphoryl]oxybutane
CID 23044732
2-[butyl(pentoxy)phosphoryl]oxyethylcyclohexane
CID 91716564
terbium;tributyl phosphate
CID 90187591

Frequently Asked Questions

What is the IUPAC name of [butoxy(methoxy)phosphoryl]cyclohexane?
The IUPAC name of [butoxy(methoxy)phosphoryl]cyclohexane (CID 87127819) is [butoxy(methoxy)phosphoryl]cyclohexane.
What is the SMILES notation for [butoxy(methoxy)phosphoryl]cyclohexane?
The canonical SMILES for [butoxy(methoxy)phosphoryl]cyclohexane is CCCCOP(=O)(OC)C1CCCCC1.
What is the InChIKey of [butoxy(methoxy)phosphoryl]cyclohexane?
The InChIKey is BECJDVAPJMTIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-3-4-10-14-15(12,13-2)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3.
What are the key properties of [butoxy(methoxy)phosphoryl]cyclohexane?
[butoxy(methoxy)phosphoryl]cyclohexane has a molecular weight of 234.28 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy(methoxy)phosphoryl]cyclohexane is sourced from PubChem (CID 87127819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).