ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide

C9H19O3P — CID 170747154

IUPACethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide
SMILESCC.CP1(=O)OCC2(CCC2)CO1
InChIInChI=1S/C7H13O3P.C2H6/c1-11(8)9-5-7(6-10-11)3-2-4-7;1-2/h2-6H2,1H3;1-2H3
InChIKeyUTUIJWQKERMUTO-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.05
Rot. Bonds

About ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide

ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide (PubChem CID 170747154) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide.

Molecular Properties

Compound Nameethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide
PubChem CID170747154
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Nameethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide
SMILESCC.CP1(=O)OCC2(CCC2)CO1
InChIInChI=1S/C7H13O3P.C2H6/c1-11(8)9-5-7(6-10-11)3-2-4-7;1-2/h2-6H2,1H3;1-2H3
InChIKeyUTUIJWQKERMUTO-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 22107261
2,7-dimethyl-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
CID 118422686
2-methyl-1,3,2lambda5-dioxaphosphocane 2-oxide
CID 12579739
6,8-dioxa-7λ4-thiaspiro[3.5]nonane 7-oxide
CID 59031027
3-chloro-2,4,9-trioxa-3λ5-phosphaspiro[5.5]undecane 3-oxide
CID 170747255
methanol;spiro[3.3]heptane
CID 170155109
5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 102025046
methane;spiro[3.3]heptane
CID 142516352
propane;spiro[3.3]heptane
CID 176988732
5,10-dioxadispiro[2.2.36.23]undecane
CID 144959293
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
2-chloro-5,5-dimethyl-1,3,2λ5-dioxaphosphonane 2-oxide
CID 156787224

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide?
The IUPAC name of ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide (CID 170747154) is ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide.
What is the SMILES notation for ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide?
The canonical SMILES for ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide is CC.CP1(=O)OCC2(CCC2)CO1.
What is the InChIKey of ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide?
The InChIKey is UTUIJWQKERMUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O3P.C2H6/c1-11(8)9-5-7(6-10-11)3-2-4-7;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide?
ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide has a molecular weight of 206.22 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-6,8-dioxa-7λ5-phosphaspiro[3.5]nonane 7-oxide is sourced from PubChem (CID 170747154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).