2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide

C8H17O5P — CID 142743133

IUPAC2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide
SMILESCOC1CCCCCCOP(=O)(O)O1
InChIInChI=1S/C8H17O5P/c1-11-8-6-4-2-3-5-7-12-14(9,10)13-8/h8H,2-7H2,1H3,(H,9,10)
InChIKeyDNBOYYWBLJZMLM-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.06
Rot. Bonds1

About 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide

2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide (PubChem CID 142743133) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide
PubChem CID142743133
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide
SMILESCOC1CCCCCCOP(=O)(O)O1
InChIInChI=1S/C8H17O5P/c1-11-8-6-4-2-3-5-7-12-14(9,10)13-8/h8H,2-7H2,1H3,(H,9,10)
InChIKeyDNBOYYWBLJZMLM-UHFFFAOYSA-N
XLogP2.06
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-phenoxy-1,3,2λ5-dioxaphosphocane 2-oxide
CID 142743096
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
2-methoxyoxepane
CID 24974084
4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-hydroxy-1,3,2λ5-dioxaphosphocane 2-oxide
CID 87919172
methoxycyclohexane;methoxycyclopentane;2-methoxyoxane;2-methoxyoxolane
CID 157095286
2-(2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-4-yl)isoindole-1,3-dione
CID 142743075
2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528587
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277
4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528626
5-hexyl-2-hydroxy-2-oxo-1,3-dioxa-2λ5-phosphacyclononadecan-6-ol
CID 142683694
4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 58900627
2-methyl-1,3,2lambda5-dioxaphosphocane 2-oxide
CID 12579739

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide?
The IUPAC name of 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide (CID 142743133) is 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide.
What is the SMILES notation for 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide?
The canonical SMILES for 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide is COC1CCCCCCOP(=O)(O)O1.
What is the InChIKey of 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide?
The InChIKey is DNBOYYWBLJZMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-11-8-6-4-2-3-5-7-12-14(9,10)13-8/h8H,2-7H2,1H3,(H,9,10).
What are the key properties of 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide?
2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide has a molecular weight of 224.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-1,3,2λ5-dioxaphosphecane 2-oxide is sourced from PubChem (CID 142743133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).