8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

C18H35O2P — CID 122695409

IUPAC8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCCCC1(CC)CC2(CC(CC)(CC)P1C)OCCCO2
InChIInChI=1S/C18H35O2P/c1-6-11-17(9-4)15-18(19-12-10-13-20-18)14-16(7-2,8-3)21(17)5/h6-15H2,1-5H3
InChIKeyUCLBRKVIAVZTSU-UHFFFAOYSA-N
MW314.45 g/mol
LogP5.53
Rot. Bonds5

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

8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (PubChem CID 122695409) has the molecular formula C18H35O2P and a molecular weight of 314.45 g/mol. Its IUPAC name is 8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.

Molecular Properties

Compound Name8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
PubChem CID122695409
Molecular FormulaC18H35O2P
Molecular Weight314.45 g/mol
Exact Mass314.24
IUPAC Name8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCCCC1(CC)CC2(CC(CC)(CC)P1C)OCCCO2
InChIInChI=1S/C18H35O2P/c1-6-11-17(9-4)15-18(19-12-10-13-20-18)14-16(7-2,8-3)21(17)5/h6-15H2,1-5H3
InChIKeyUCLBRKVIAVZTSU-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 58051229
8,8,10,10-Tetramethyl-9-propan-2-yl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 58051236
9-Tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 58051254
9-Tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 58067314
8,8,9,10-Tetraethyl-7,11-dimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 68075520
9-Ethyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 68075549
8,8,9,10,10-Pentamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 68075553
1,3-dioxane;(2R,3S)-3-heptyl-2-octyloxane
CID 68581561
3,3,8,8,9,10,10-Heptamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 89760540
8,8,10,10-Tetraethyl-7,9,11-trimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 89760580
8,8,10-Triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 90463749
1',6'-Diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]
CID 118119459

Frequently Asked Questions

What is the IUPAC name of 8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The IUPAC name of 8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (CID 122695409) is 8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.
What is the SMILES notation for 8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The canonical SMILES for 8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is CCCC1(CC)CC2(CC(CC)(CC)P1C)OCCCO2.
What is the InChIKey of 8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The InChIKey is UCLBRKVIAVZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35O2P/c1-6-11-17(9-4)15-18(19-12-10-13-20-18)14-16(7-2,8-3)21(17)5/h6-15H2,1-5H3.
What are the key properties of 8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
8,8,10-triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane has a molecular weight of 314.45 g/mol, XLogP of 5.53, 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-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is sourced from PubChem (CID 122695409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).