4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide

C7H14ClO4P — CID 71369874

IUPAC4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCCCCOCC1COP(=O)(Cl)O1
InChIInChI=1S/C7H14ClO4P/c1-2-3-4-10-5-7-6-11-13(8,9)12-7/h7H,2-6H2,1H3
InChIKeyYAJQKGDROFCBLS-UHFFFAOYSA-N
MW228.61 g/mol
LogP2.57
Rot. Bonds5

About 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide

4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 71369874) has the molecular formula C7H14ClO4P and a molecular weight of 228.61 g/mol. Its IUPAC name is 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID71369874
Molecular FormulaC7H14ClO4P
Molecular Weight228.61 g/mol
Exact Mass228.03
IUPAC Name4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCCCCOCC1COP(=O)(Cl)O1
InChIInChI=1S/C7H14ClO4P/c1-2-3-4-10-5-7-6-11-13(8,9)12-7/h7H,2-6H2,1H3
InChIKeyYAJQKGDROFCBLS-UHFFFAOYSA-N
XLogP2.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 166063430
CID 166063430
azanium (4R)-4-(octadec-9-enoxymethyl)-2-oxido-1,3,2λ5-dioxaphospholane 2-oxide
CID 171324438
(4S)-4-(butoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
CID 90323097
2-(pentoxymethyl)oxirane
CID 160890113
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(butoxymethyl)oxirane;2-ethyloxirane;fluoroform;propane
CID 174860691
5-(butoxymethyl)-1,3-oxathiolan-2-one
CID 14772134
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488

Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide (CID 71369874) is 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide is CCCCOCC1COP(=O)(Cl)O1.
What is the InChIKey of 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is YAJQKGDROFCBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO4P/c1-2-3-4-10-5-7-6-11-13(8,9)12-7/h7H,2-6H2,1H3.
What are the key properties of 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide?
4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 228.61 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-2-chloro-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 71369874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).