6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane

C6H11O2P — CID 170747106

IUPAC6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane
SMILESCP1OCC2(CC2)CO1
InChIInChI=1S/C6H11O2P/c1-9-7-4-6(2-3-6)5-8-9/h2-5H2,1H3
InChIKeyHAVYAFBOLVNWGV-UHFFFAOYSA-N
MW146.13 g/mol
LogP1.76
Rot. Bonds

About 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane

6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane (PubChem CID 170747106) has the molecular formula C6H11O2P and a molecular weight of 146.13 g/mol. Its IUPAC name is 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane.

Molecular Properties

Compound Name6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane
PubChem CID170747106
Molecular FormulaC6H11O2P
Molecular Weight146.13 g/mol
Exact Mass146.05
IUPAC Name6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane
SMILESCP1OCC2(CC2)CO1
InChIInChI=1S/C6H11O2P/c1-9-7-4-6(2-3-6)5-8-9/h2-5H2,1H3
InChIKeyHAVYAFBOLVNWGV-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,9-dimethyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
CID 158576549
2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane
CID 23420038
2-methyl-1,3,2-dioxaphosphetane
CID 54570316
5,8-dioxaspiro[2.6]nonane
CID 118209719
5-ethyl-5-[(5-ethyl-2-methyl-1,3,2-dioxaphosphinan-5-yl)oxy-methylphosphoryl]oxy-2-methyl-1,3,2-dioxaphosphinane
CID 154432372
6-ethyl-5,7-dioxaspiro[2.5]octane
CID 163722757
5,10-dioxadispiro[2.2.36.23]undecane
CID 144959293
5,7-dioxa-6λ4-thiaspiro[2.5]octane 6-oxide
CID 10866493
5,7-dioxaspiro[2.5]octan-6-one
CID 59701127
6-butan-2-yl-5,7-dioxaspiro[2.5]octane
CID 143310520
(3-dimethoxyphosphoryloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-9-yl) dimethyl phosphate
CID 164758612
ethane;6-propan-2-ylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]
CID 165000926

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane?
The IUPAC name of 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane (CID 170747106) is 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane.
What is the SMILES notation for 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane?
The canonical SMILES for 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane is CP1OCC2(CC2)CO1.
What is the InChIKey of 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane?
The InChIKey is HAVYAFBOLVNWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2P/c1-9-7-4-6(2-3-6)5-8-9/h2-5H2,1H3.
What are the key properties of 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane?
6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane has a molecular weight of 146.13 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,7-dioxa-6-phosphaspiro[2.5]octane is sourced from PubChem (CID 170747106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).