[butoxy(hexyl)phosphoryl]methanol

C11H25O3P — CID 86752200

IUPAC[butoxy(hexyl)phosphoryl]methanol
SMILESCCCCCCP(=O)(CO)OCCCC
InChIInChI=1S/C11H25O3P/c1-3-5-7-8-10-15(13,11-12)14-9-6-4-2/h12H,3-11H2,1-2H3
InChIKeyMKLYEFKEOUDEDW-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.61
Rot. Bonds10

About [butoxy(hexyl)phosphoryl]methanol

[butoxy(hexyl)phosphoryl]methanol (PubChem CID 86752200) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is [butoxy(hexyl)phosphoryl]methanol.

Molecular Properties

Compound Name[butoxy(hexyl)phosphoryl]methanol
PubChem CID86752200
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name[butoxy(hexyl)phosphoryl]methanol
SMILESCCCCCCP(=O)(CO)OCCCC
InChIInChI=1S/C11H25O3P/c1-3-5-7-8-10-15(13,11-12)14-9-6-4-2/h12H,3-11H2,1-2H3
InChIKeyMKLYEFKEOUDEDW-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.61
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

1-[ethyl(octyl)phosphoryl]oxyoctane
CID 174639586
heptoxy(octadecyl)phosphinic acid
CID 139947141
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[butoxy(methyl)phosphoryl]hexane
CID 54339401
dioctylphosphoryl acetate
CID 159021834
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748

Frequently Asked Questions

What is the IUPAC name of [butoxy(hexyl)phosphoryl]methanol?
The IUPAC name of [butoxy(hexyl)phosphoryl]methanol (CID 86752200) is [butoxy(hexyl)phosphoryl]methanol.
What is the SMILES notation for [butoxy(hexyl)phosphoryl]methanol?
The canonical SMILES for [butoxy(hexyl)phosphoryl]methanol is CCCCCCP(=O)(CO)OCCCC.
What is the InChIKey of [butoxy(hexyl)phosphoryl]methanol?
The InChIKey is MKLYEFKEOUDEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-3-5-7-8-10-15(13,11-12)14-9-6-4-2/h12H,3-11H2,1-2H3.
What are the key properties of [butoxy(hexyl)phosphoryl]methanol?
[butoxy(hexyl)phosphoryl]methanol has a molecular weight of 236.29 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy(hexyl)phosphoryl]methanol is sourced from PubChem (CID 86752200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).