butyl (1-propylcyclopentyl) hydrogen phosphate

C12H25O4P — CID 139845994

IUPACbutyl (1-propylcyclopentyl) hydrogen phosphate
SMILESCCCCOP(=O)(O)OC1(CCC)CCCC1
InChIInChI=1S/C12H25O4P/c1-3-5-11-15-17(13,14)16-12(8-4-2)9-6-7-10-12/h3-11H2,1-2H3,(H,13,14)
InChIKeyBGVVVURITLWRTQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.03
Rot. Bonds8

About butyl (1-propylcyclopentyl) hydrogen phosphate

butyl (1-propylcyclopentyl) hydrogen phosphate (PubChem CID 139845994) has the molecular formula C12H25O4P and a molecular weight of 264.30 g/mol. Its IUPAC name is butyl (1-propylcyclopentyl) hydrogen phosphate.

Molecular Properties

Compound Namebutyl (1-propylcyclopentyl) hydrogen phosphate
PubChem CID139845994
Molecular FormulaC12H25O4P
Molecular Weight264.30 g/mol
Exact Mass264.15
IUPAC Namebutyl (1-propylcyclopentyl) hydrogen phosphate
SMILESCCCCOP(=O)(O)OC1(CCC)CCCC1
InChIInChI=1S/C12H25O4P/c1-3-5-11-15-17(13,14)16-12(8-4-2)9-6-7-10-12/h3-11H2,1-2H3,(H,13,14)
InChIKeyBGVVVURITLWRTQ-UHFFFAOYSA-N
XLogP4.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
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

dibutyl hydrogen phosphate
CID 158586372
(1-butylcyclopentyl)oxy-fluorophosphinic acid
CID 150124929
butyl phosphono hydrogen phosphate
CID 22278195
lithium;dibutyl hydrogen phosphate;hydride
CID 174759631
butyl heptyl hydrogen phosphate
CID 86151412
azane;butyl dihydrogen phosphate
CID 173333807
[butoxy(hydroxy)phosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 139957070
hexyl nonyl hydrogen phosphate
CID 23169649
decyl dodecyl hydrogen phosphate
CID 20810618
azane;butyl dihydrogen phosphate;hydrochloride
CID 146307960
hexadecyl hexyl hydrogen phosphate
CID 15132676
(1-ethylcyclohexyl) fluoro hydrogen phosphate
CID 175012184

Frequently Asked Questions

What is the IUPAC name of butyl (1-propylcyclopentyl) hydrogen phosphate?
The IUPAC name of butyl (1-propylcyclopentyl) hydrogen phosphate (CID 139845994) is butyl (1-propylcyclopentyl) hydrogen phosphate.
What is the SMILES notation for butyl (1-propylcyclopentyl) hydrogen phosphate?
The canonical SMILES for butyl (1-propylcyclopentyl) hydrogen phosphate is CCCCOP(=O)(O)OC1(CCC)CCCC1.
What is the InChIKey of butyl (1-propylcyclopentyl) hydrogen phosphate?
The InChIKey is BGVVVURITLWRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O4P/c1-3-5-11-15-17(13,14)16-12(8-4-2)9-6-7-10-12/h3-11H2,1-2H3,(H,13,14).
What are the key properties of butyl (1-propylcyclopentyl) hydrogen phosphate?
butyl (1-propylcyclopentyl) hydrogen phosphate has a molecular weight of 264.30 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (1-propylcyclopentyl) hydrogen phosphate is sourced from PubChem (CID 139845994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).