1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]

C19H35O2P — CID 118119459

IUPAC1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]
SMILESCCC12CCCCC(CC)(C(C)C3(OCCCO3)C1C)P2C
InChIInChI=1S/C19H35O2P/c1-6-17-11-8-9-12-18(7-2,22(17)5)16(4)19(15(17)3)20-13-10-14-21-19/h15-16H,6-14H2,1-5H3
InChIKeyMYZOSKMGRPTKBZ-UHFFFAOYSA-N
MW326.46 g/mol
LogP5.39
Rot. Bonds2

About 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]

1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane] (PubChem CID 118119459) has the molecular formula C19H35O2P and a molecular weight of 326.46 g/mol. Its IUPAC name is 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane].

Molecular Properties

Compound Name1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]
PubChem CID118119459
Molecular FormulaC19H35O2P
Molecular Weight326.46 g/mol
Exact Mass326.24
IUPAC Name1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]
SMILESCCC12CCCCC(CC)(C(C)C3(OCCCO3)C1C)P2C
InChIInChI=1S/C19H35O2P/c1-6-17-11-8-9-12-18(7-2,22(17)5)16(4)19(15(17)3)20-13-10-14-21-19/h15-16H,6-14H2,1-5H3
InChIKeyMYZOSKMGRPTKBZ-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.46
LogP ≤ 55.39
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 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]?
The IUPAC name of 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane] (CID 118119459) is 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane].
What is the SMILES notation for 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]?
The canonical SMILES for 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane] is CCC12CCCCC(CC)(C(C)C3(OCCCO3)C1C)P2C.
What is the InChIKey of 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]?
The InChIKey is MYZOSKMGRPTKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35O2P/c1-6-17-11-8-9-12-18(7-2,22(17)5)16(4)19(15(17)3)20-13-10-14-21-19/h15-16H,6-14H2,1-5H3.
What are the key properties of 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]?
1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane] has a molecular weight of 326.46 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',6'-diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane] is sourced from PubChem (CID 118119459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).