1-(1-butoxy-1-phosphorosoethoxy)butane

C10H21O3P — CID 54326502

IUPAC1-(1-butoxy-1-phosphorosoethoxy)butane
SMILESCCCCOC(C)(OCCCC)P=O
InChIInChI=1S/C10H21O3P/c1-4-6-8-12-10(3,14-11)13-9-7-5-2/h4-9H2,1-3H3
InChIKeySVHXRYYFQSWJEV-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.59
Rot. Bonds9

About 1-(1-butoxy-1-phosphorosoethoxy)butane

1-(1-butoxy-1-phosphorosoethoxy)butane (PubChem CID 54326502) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(1-butoxy-1-phosphorosoethoxy)butane.

Molecular Properties

Compound Name1-(1-butoxy-1-phosphorosoethoxy)butane
PubChem CID54326502
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name1-(1-butoxy-1-phosphorosoethoxy)butane
SMILESCCCCOC(C)(OCCCC)P=O
InChIInChI=1S/C10H21O3P/c1-4-6-8-12-10(3,14-11)13-9-7-5-2/h4-9H2,1-3H3
InChIKeySVHXRYYFQSWJEV-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-4-butoxy-4-methylpent-2-ene
CID 89120726
1-butoxypropane-1,1-diamine
CID 87535027
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539
2,2-dibutoxypropan-1-ol
CID 145497919
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
2-butoxy-2-ethoxypropanal
CID 15353858
tris(2,2,2-tributoxyethyl) phosphate
CID 168864566
9-heptoxy-9-methylhenicosane
CID 91127088
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
ethyl 2-butoxy-2-ethyl-3-oxobutanoate
CID 174929475
5,5-dibutoxynonane
CID 89440038
1-phosphorosooxybutane;propane
CID 88827784

Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxy-1-phosphorosoethoxy)butane?
The IUPAC name of 1-(1-butoxy-1-phosphorosoethoxy)butane (CID 54326502) is 1-(1-butoxy-1-phosphorosoethoxy)butane.
What is the SMILES notation for 1-(1-butoxy-1-phosphorosoethoxy)butane?
The canonical SMILES for 1-(1-butoxy-1-phosphorosoethoxy)butane is CCCCOC(C)(OCCCC)P=O.
What is the InChIKey of 1-(1-butoxy-1-phosphorosoethoxy)butane?
The InChIKey is SVHXRYYFQSWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-4-6-8-12-10(3,14-11)13-9-7-5-2/h4-9H2,1-3H3.
What are the key properties of 1-(1-butoxy-1-phosphorosoethoxy)butane?
1-(1-butoxy-1-phosphorosoethoxy)butane has a molecular weight of 220.25 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxy-1-phosphorosoethoxy)butane is sourced from PubChem (CID 54326502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).