8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

C20H39O2P — CID 90463749

IUPAC8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCCCC1(CC)C(C)C2(OCCCO2)C(C)C(CC)(CC)P1C
InChIInChI=1S/C20H39O2P/c1-8-13-19(11-4)17(6)20(21-14-12-15-22-20)16(5)18(9-2,10-3)23(19)7/h16-17H,8-15H2,1-7H3
InChIKeyRTGYWPRVBHIQKX-UHFFFAOYSA-N
MW342.50 g/mol
LogP6.02
Rot. Bonds5

About 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (PubChem CID 90463749) has the molecular formula C20H39O2P and a molecular weight of 342.50 g/mol. Its IUPAC name is 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.

Molecular Properties

Compound Name8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
PubChem CID90463749
Molecular FormulaC20H39O2P
Molecular Weight342.50 g/mol
Exact Mass342.27
IUPAC Name8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCCCC1(CC)C(C)C2(OCCCO2)C(C)C(CC)(CC)P1C
InChIInChI=1S/C20H39O2P/c1-8-13-19(11-4)17(6)20(21-14-12-15-22-20)16(5)18(9-2,10-3)23(19)7/h16-17H,8-15H2,1-7H3
InChIKeyRTGYWPRVBHIQKX-UHFFFAOYSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The IUPAC name of 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (CID 90463749) is 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.
What is the SMILES notation for 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The canonical SMILES for 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is CCCC1(CC)C(C)C2(OCCCO2)C(C)C(CC)(CC)P1C.
What is the InChIKey of 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The InChIKey is RTGYWPRVBHIQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39O2P/c1-8-13-19(11-4)17(6)20(21-14-12-15-22-20)16(5)18(9-2,10-3)23(19)7/h16-17H,8-15H2,1-7H3.
What are the key properties of 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane has a molecular weight of 342.50 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,10-triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is sourced from PubChem (CID 90463749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).