4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol

C11H18O — CID 123373454

IUPAC4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol
SMILESCC1C(C)C2(C)C1C(O)C21CC1
InChIInChI=1S/C11H18O/c1-6-7(2)10(3)8(6)9(12)11(10)4-5-11/h6-9,12H,4-5H2,1-3H3
InChIKeyXLFKQXOBRMRMHW-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.05
Rot. Bonds

About 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol

4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol (PubChem CID 123373454) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol.

Molecular Properties

Compound Name4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol
PubChem CID123373454
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol
SMILESCC1C(C)C2(C)C1C(O)C21CC1
InChIInChI=1S/C11H18O/c1-6-7(2)10(3)8(6)9(12)11(10)4-5-11/h6-9,12H,4-5H2,1-3H3
InChIKeyXLFKQXOBRMRMHW-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol with MolForge

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Related Compounds

3,3,9,10-tetramethyltricyclo[7.1.1.02,7]undecan-8-ol
CID 70531905
cis-(1S,5R)-2,2,5-trimethylcyclopentan-1-ol
CID 101036298
1,3,6,6-tetramethylbicyclo[2.2.2]octan-2-ol
CID 23398442
(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol
CID 54495644
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765
trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol
CID 71370676
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
(1S,5R,6R,7S,8S,12R,13R,14S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7,13,14-tetrol
CID 10709798
1,2-dimethylspiro[bicyclo[4.1.0]heptane-7,1'-cyclopropane]
CID 163587019
1,4-dimethyltricyclo[3.2.1.03,8]octane
CID 163690199
(1S,2R,4S)-3,3,4-trimethylbicyclo[2.2.1]heptan-2-ol
CID 129408816

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol?
The IUPAC name of 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol (CID 123373454) is 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol.
What is the SMILES notation for 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol?
The canonical SMILES for 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol is CC1C(C)C2(C)C1C(O)C21CC1.
What is the InChIKey of 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol?
The InChIKey is XLFKQXOBRMRMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-6-7(2)10(3)8(6)9(12)11(10)4-5-11/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol?
4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol is sourced from PubChem (CID 123373454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).