9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]

C16H29O2P — CID 58051253

IUPAC9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]
SMILESCC(C)(C)P1C2(C)CCCC1(C)CC1(C2)OCCO1
InChIInChI=1S/C16H29O2P/c1-13(2,3)19-14(4)7-6-8-15(19,5)12-16(11-14)17-9-10-18-16/h6-12H2,1-5H3
InChIKeyHPCSHZOIVWZOHS-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.51
Rot. Bonds

About 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]

9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane] (PubChem CID 58051253) has the molecular formula C16H29O2P and a molecular weight of 284.38 g/mol. Its IUPAC name is 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane].

Molecular Properties

Compound Name9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]
PubChem CID58051253
Molecular FormulaC16H29O2P
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]
SMILESCC(C)(C)P1C2(C)CCCC1(C)CC1(C2)OCCO1
InChIInChI=1S/C16H29O2P/c1-13(2,3)19-14(4)7-6-8-15(19,5)12-16(11-14)17-9-10-18-16/h6-12H2,1-5H3
InChIKeyHPCSHZOIVWZOHS-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.51
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 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]?
The IUPAC name of 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane] (CID 58051253) is 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane].
What is the SMILES notation for 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]?
The canonical SMILES for 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane] is CC(C)(C)P1C2(C)CCCC1(C)CC1(C2)OCCO1.
What is the InChIKey of 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]?
The InChIKey is HPCSHZOIVWZOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29O2P/c1-13(2,3)19-14(4)7-6-8-15(19,5)12-16(11-14)17-9-10-18-16/h6-12H2,1-5H3.
What are the key properties of 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]?
9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane] has a molecular weight of 284.38 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane] is sourced from PubChem (CID 58051253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).