3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol

C21H28O2 — CID 102330681

IUPAC3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol
SMILESCC1(C)Cc2ccc(O)cc2C2(CC3CC4CC(C3)CC2C4)O1
InChIInChI=1S/C21H28O2/c1-20(2)12-16-3-4-18(22)10-19(16)21(23-20)11-15-6-13-5-14(7-15)9-17(21)8-13/h3-4,10,13-15,17,22H,5-9,11-12H2,1-2H3
InChIKeyQFWLWHBVSDQXIV-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.78
Rot. Bonds

About 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol

3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol (PubChem CID 102330681) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol.

Molecular Properties

Compound Name3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol
PubChem CID102330681
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol
SMILESCC1(C)Cc2ccc(O)cc2C2(CC3CC4CC(C3)CC2C4)O1
InChIInChI=1S/C21H28O2/c1-20(2)12-16-3-4-18(22)10-19(16)21(23-20)11-15-6-13-5-14(7-15)9-17(21)8-13/h3-4,10,13-15,17,22H,5-9,11-12H2,1-2H3
InChIKeyQFWLWHBVSDQXIV-UHFFFAOYSA-N
XLogP4.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol with MolForge

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Related Compounds

tert-butyl-(1,1-dimethylspiro[2-benzofuran-3,4'-tricyclo[4.3.1.13,8]undecane]-5-yl)oxy-dimethylsilane
CID 102330678
(9R)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 166025257
1,3,3-trimethyl-1,2-dihydroinden-5-ol
CID 18183555
4-(1-adamantyl)-3-chlorophenol
CID 141391577
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
1-ethyl-11,12,12-trimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 126635647
6-(2-amino-2-adamantyl)naphthalen-2-ol
CID 59052121
methanol;2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 143977527
7-hydroxy-1,1,3,3-tetramethyl-4H-naphthalen-2-one
CID 165352303
3,3-dimethyl-1H-2-benzofuran-5-ol
CID 57076460
(1S,9S)-1,10-dimethyl-10-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-ol
CID 11183301
3,3-diamino-1,2-dihydroinden-5-ol
CID 66833532

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol?
The IUPAC name of 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol (CID 102330681) is 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol.
What is the SMILES notation for 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol?
The canonical SMILES for 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol is CC1(C)Cc2ccc(O)cc2C2(CC3CC4CC(C3)CC2C4)O1.
What is the InChIKey of 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol?
The InChIKey is QFWLWHBVSDQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-20(2)12-16-3-4-18(22)10-19(16)21(23-20)11-15-6-13-5-14(7-15)9-17(21)8-13/h3-4,10,13-15,17,22H,5-9,11-12H2,1-2H3.
What are the key properties of 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol?
3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol has a molecular weight of 312.45 g/mol, XLogP of 4.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylspiro[4H-isochromene-1,4'-tricyclo[4.3.1.13,8]undecane]-7-ol is sourced from PubChem (CID 102330681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).