7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane

C19H38O2P+ — CID 123747747

IUPAC7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane
SMILESCCC1(CC)C(C)C2(OCCO2)C(C)C(CC)(CC)[P+]1(C)C
InChIInChI=1S/C19H38O2P/c1-9-17(10-2)15(5)19(20-13-14-21-19)16(6)18(11-3,12-4)22(17,7)8/h15-16H,9-14H2,1-8H3/q+1
InChIKeyGWSJUTOZFIIIIQ-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.41
Rot. Bonds4

About 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane

7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane (PubChem CID 123747747) has the molecular formula C19H38O2P+ and a molecular weight of 329.49 g/mol. Its IUPAC name is 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane.

Molecular Properties

Compound Name7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane
PubChem CID123747747
Molecular FormulaC19H38O2P+
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane
SMILESCCC1(CC)C(C)C2(OCCO2)C(C)C(CC)(CC)[P+]1(C)C
InChIInChI=1S/C19H38O2P/c1-9-17(10-2)15(5)19(20-13-14-21-19)16(6)18(11-3,12-4)22(17,7)8/h15-16H,9-14H2,1-8H3/q+1
InChIKeyGWSJUTOZFIIIIQ-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.41
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 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane?
The IUPAC name of 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane (CID 123747747) is 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane.
What is the SMILES notation for 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane?
The canonical SMILES for 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane is CCC1(CC)C(C)C2(OCCO2)C(C)C(CC)(CC)[P+]1(C)C.
What is the InChIKey of 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane?
The InChIKey is GWSJUTOZFIIIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2P/c1-9-17(10-2)15(5)19(20-13-14-21-19)16(6)18(11-3,12-4)22(17,7)8/h15-16H,9-14H2,1-8H3/q+1.
What are the key properties of 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane?
7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane has a molecular weight of 329.49 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9,9-tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane is sourced from PubChem (CID 123747747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).