[butyl(methoxy)phosphoryl]cyclopentane

C10H21O2P — CID 174817871

IUPAC[butyl(methoxy)phosphoryl]cyclopentane
SMILESCCCCP(=O)(OC)C1CCCC1
InChIInChI=1S/C10H21O2P/c1-3-4-9-13(11,12-2)10-7-5-6-8-10/h10H,3-9H2,1-2H3
InChIKeyVPRIBTBHEMKYFV-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.65
Rot. Bonds5

About [butyl(methoxy)phosphoryl]cyclopentane

[butyl(methoxy)phosphoryl]cyclopentane (PubChem CID 174817871) has the molecular formula C10H21O2P and a molecular weight of 204.25 g/mol. Its IUPAC name is [butyl(methoxy)phosphoryl]cyclopentane.

Molecular Properties

Compound Name[butyl(methoxy)phosphoryl]cyclopentane
PubChem CID174817871
Molecular FormulaC10H21O2P
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Name[butyl(methoxy)phosphoryl]cyclopentane
SMILESCCCCP(=O)(OC)C1CCCC1
InChIInChI=1S/C10H21O2P/c1-3-4-9-13(11,12-2)10-7-5-6-8-10/h10H,3-9H2,1-2H3
InChIKeyVPRIBTBHEMKYFV-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[ethyl(methoxy)phosphoryl]cyclohexane
CID 66729718
3-[cyclopentyl(ethoxy)phosphoryl]propan-1-ol
CID 122209368
[butoxy(methoxy)phosphoryl]cyclohexane
CID 87127819
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
[heptyl(propan-2-yl)phosphoryl]cyclopentane
CID 149151596
[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119
1-dibutylphosphoryl-3-ethylcyclohexane
CID 21320578
butyl(cyclopentylmethoxy)phosphinic acid
CID 87155036
butyl(2-cyclopentylethyl)phosphinic acid
CID 134348808
[butoxy(butyl)phosphoryl]oxycyclohexane
CID 87506579
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
1-[ethoxy(methoxy)phosphoryl]butane
CID 86081258

Frequently Asked Questions

What is the IUPAC name of [butyl(methoxy)phosphoryl]cyclopentane?
The IUPAC name of [butyl(methoxy)phosphoryl]cyclopentane (CID 174817871) is [butyl(methoxy)phosphoryl]cyclopentane.
What is the SMILES notation for [butyl(methoxy)phosphoryl]cyclopentane?
The canonical SMILES for [butyl(methoxy)phosphoryl]cyclopentane is CCCCP(=O)(OC)C1CCCC1.
What is the InChIKey of [butyl(methoxy)phosphoryl]cyclopentane?
The InChIKey is VPRIBTBHEMKYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O2P/c1-3-4-9-13(11,12-2)10-7-5-6-8-10/h10H,3-9H2,1-2H3.
What are the key properties of [butyl(methoxy)phosphoryl]cyclopentane?
[butyl(methoxy)phosphoryl]cyclopentane has a molecular weight of 204.25 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(methoxy)phosphoryl]cyclopentane is sourced from PubChem (CID 174817871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).