3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol

C13H29O3P — CID 167549752

IUPAC3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol
SMILESCOCCCP(CCCO)CCCOC(C)C
InChIInChI=1S/C13H29O3P/c1-13(2)16-9-6-12-17(10-4-7-14)11-5-8-15-3/h13-14H,4-12H2,1-3H3
InChIKeyQDQDSEWJSSHZCW-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.70
Rot. Bonds12

About 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol

3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol (PubChem CID 167549752) has the molecular formula C13H29O3P and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol
PubChem CID167549752
Molecular FormulaC13H29O3P
Molecular Weight264.35 g/mol
Exact Mass264.19
IUPAC Name3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol
SMILESCOCCCP(CCCO)CCCOC(C)C
InChIInChI=1S/C13H29O3P/c1-13(2)16-9-6-12-17(10-4-7-14)11-5-8-15-3/h13-14H,4-12H2,1-3H3
InChIKeyQDQDSEWJSSHZCW-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.70
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

2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol
CID 167549749
2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
CID 90747134
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
2-[2-methoxyethyl(2-propan-2-yloxyethyl)phosphanyl]ethanol;[methoxymethyl(propan-2-yloxymethyl)phosphanyl]methanol;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol;3-[3-oxobutyl-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tetrakis(sulfur trioxide)
CID 167549747
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
1,6-di(propan-2-yloxy)hexane
CID 10899702
N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine
CID 156884772
methyl 3-propan-2-yloxypropyl hydrogen phosphate
CID 89017051
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
butane-1,3-diol;4-methoxybutan-1-ol
CID 87928957
2-[3-(propan-2-yloxymethoxy)propoxy]ethanol
CID 57303789

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol?
The IUPAC name of 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol (CID 167549752) is 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol.
What is the SMILES notation for 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol?
The canonical SMILES for 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol is COCCCP(CCCO)CCCOC(C)C.
What is the InChIKey of 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol?
The InChIKey is QDQDSEWJSSHZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3P/c1-13(2)16-9-6-12-17(10-4-7-14)11-5-8-15-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol?
3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol has a molecular weight of 264.35 g/mol, XLogP of 2.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(3-propan-2-yloxypropyl)phosphanyl]propan-1-ol is sourced from PubChem (CID 167549752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).