8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane

C21H41O2P — CID 58051226

IUPAC8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane
SMILESCCC1(CC)C(C)C2(OCCO2)C(C)C(CC)(CC)P1C(C)(C)C
InChIInChI=1S/C21H41O2P/c1-10-19(11-2)16(5)21(22-14-15-23-21)17(6)20(12-3,13-4)24(19)18(7,8)9/h16-17H,10-15H2,1-9H3
InChIKeyVVQAZAXMQAAPTK-UHFFFAOYSA-N
MW356.53 g/mol
LogP6.41
Rot. Bonds4

About 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane

8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane (PubChem CID 58051226) has the molecular formula C21H41O2P and a molecular weight of 356.53 g/mol. Its IUPAC name is 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane
PubChem CID58051226
Molecular FormulaC21H41O2P
Molecular Weight356.53 g/mol
Exact Mass356.28
IUPAC Name8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane
SMILESCCC1(CC)C(C)C2(OCCO2)C(C)C(CC)(CC)P1C(C)(C)C
InChIInChI=1S/C21H41O2P/c1-10-19(11-2)16(5)21(22-14-15-23-21)17(6)20(12-3,13-4)24(19)18(7,8)9/h16-17H,10-15H2,1-9H3
InChIKeyVVQAZAXMQAAPTK-UHFFFAOYSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 56.41
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 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane (CID 58051226) is 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane is CCC1(CC)C(C)C2(OCCO2)C(C)C(CC)(CC)P1C(C)(C)C.
What is the InChIKey of 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
The InChIKey is VVQAZAXMQAAPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41O2P/c1-10-19(11-2)16(5)21(22-14-15-23-21)17(6)20(12-3,13-4)24(19)18(7,8)9/h16-17H,10-15H2,1-9H3.
What are the key properties of 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane?
8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane has a molecular weight of 356.53 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane is sourced from PubChem (CID 58051226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).