1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol

C11H25O3P — CID 155472796

IUPAC1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol
SMILESCCCP(=O)(CCC(C)C)OCC(C)O
InChIInChI=1S/C11H25O3P/c1-5-7-15(13,8-6-10(2)3)14-9-11(4)12/h10-12H,5-9H2,1-4H3
InChIKeyBHGIFEZBCINAPA-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.12
Rot. Bonds8

About 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol

1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol (PubChem CID 155472796) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol.

Molecular Properties

Compound Name1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol
PubChem CID155472796
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol
SMILESCCCP(=O)(CCC(C)C)OCC(C)O
InChIInChI=1S/C11H25O3P/c1-5-7-15(13,8-6-10(2)3)14-9-11(4)12/h10-12H,5-9H2,1-4H3
InChIKeyBHGIFEZBCINAPA-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium 2-hydroxypropyl phosphate
CID 20976017
1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane
CID 23081687
1-[methoxy(methyl)phosphoryl]oxypropan-2-ol
CID 14451329
1-difluorophosphoryl-3-methylbutane
CID 23280651
butyl 3-hydroxybutyl hydrogen phosphate
CID 71322607
[4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid
CID 87190737
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
[1-hydroxy-1-[hydroxy(2-hydroxypropoxy)phosphoryl]ethyl]-(2-hydroxypropoxy)phosphinic acid
CID 101034790
(2R)-pentan-2-ol
CID 7014876
[(2S)-2-hydroxypropyl] [(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
CID 102506295
2-[ethyl(propyl)phosphoryl]oxypropan-1-ol
CID 129142575
hexan-2-ol;zirconium
CID 174835617

Frequently Asked Questions

What is the IUPAC name of 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol?
The IUPAC name of 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol (CID 155472796) is 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol.
What is the SMILES notation for 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol?
The canonical SMILES for 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol is CCCP(=O)(CCC(C)C)OCC(C)O.
What is the InChIKey of 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol?
The InChIKey is BHGIFEZBCINAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-5-7-15(13,8-6-10(2)3)14-9-11(4)12/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol?
1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol has a molecular weight of 236.29 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol is sourced from PubChem (CID 155472796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).