2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]

C15H26O — CID 22914150

IUPAC2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]
SMILESCC1C2CC(CC13COC(C)(C)C3)C2(C)C
InChIInChI=1S/C15H26O/c1-10-12-6-11(14(12,4)5)7-15(10)8-13(2,3)16-9-15/h10-12H,6-9H2,1-5H3
InChIKeyHVQVJTBCGZLBLR-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.87
Rot. Bonds

About 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]

2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane] (PubChem CID 22914150) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane].

Molecular Properties

Compound Name2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]
PubChem CID22914150
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]
SMILESCC1C2CC(CC13COC(C)(C)C3)C2(C)C
InChIInChI=1S/C15H26O/c1-10-12-6-11(14(12,4)5)7-15(10)8-13(2,3)16-9-15/h10-12H,6-9H2,1-5H3
InChIKeyHVQVJTBCGZLBLR-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane] with MolForge

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Related Compounds

(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
CID 51669756
(1S,6S)-4,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
CID 169187540
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 58892133
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane
CID 134997545
3,3,8-trimethyl-2,7-dioxaspiro[4.4]nonane
CID 24971562
(1S,2S,4S)-5,5-dimethylbicyclo[2.1.1]hexane-2-carboxylic acid
CID 98513301

Frequently Asked Questions

What is the IUPAC name of 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]?
The IUPAC name of 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane] (CID 22914150) is 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane].
What is the SMILES notation for 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]?
The canonical SMILES for 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane] is CC1C2CC(CC13COC(C)(C)C3)C2(C)C.
What is the InChIKey of 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]?
The InChIKey is HVQVJTBCGZLBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10-12-6-11(14(12,4)5)7-15(10)8-13(2,3)16-9-15/h10-12H,6-9H2,1-5H3.
What are the key properties of 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane]?
2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane] has a molecular weight of 222.37 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',2',6,6-pentamethylspiro[bicyclo[3.1.1]heptane-3,4'-oxolane] is sourced from PubChem (CID 22914150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).