9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide

C14H27O4P — CID 164534141

IUPAC9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide
SMILESCC1(C)COC2(CC(C)(C)P(=O)(O)C(C)(C)C2)OC1
InChIInChI=1S/C14H27O4P/c1-11(2)9-17-14(18-10-11)7-12(3,4)19(15,16)13(5,6)8-14/h7-10H2,1-6H3,(H,15,16)
InChIKeyMLOHQNUKQNZRRY-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.38
Rot. Bonds

About 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide

9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide (PubChem CID 164534141) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide.

Molecular Properties

Compound Name9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide
PubChem CID164534141
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Name9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide
SMILESCC1(C)COC2(CC(C)(C)P(=O)(O)C(C)(C)C2)OC1
InChIInChI=1S/C14H27O4P/c1-11(2)9-17-14(18-10-11)7-12(3,4)19(15,16)13(5,6)8-14/h7-10H2,1-6H3,(H,15,16)
InChIKeyMLOHQNUKQNZRRY-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide?
The IUPAC name of 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide (CID 164534141) is 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide.
What is the SMILES notation for 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide?
The canonical SMILES for 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide is CC1(C)COC2(CC(C)(C)P(=O)(O)C(C)(C)C2)OC1.
What is the InChIKey of 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide?
The InChIKey is MLOHQNUKQNZRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O4P/c1-11(2)9-17-14(18-10-11)7-12(3,4)19(15,16)13(5,6)8-14/h7-10H2,1-6H3,(H,15,16).
What are the key properties of 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide?
9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide has a molecular weight of 290.34 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9λ5-phosphaspiro[5.5]undecane 9-oxide is sourced from PubChem (CID 164534141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).