(1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol

C11H20O — CID 124705432

IUPAC(1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)C[C@H](O)[C@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H20O/c1-10(2)6-8(12)7-5-9(10)11(7,3)4/h7-9,12H,5-6H2,1-4H3/t7-,8+,9-/m1/s1
InChIKeyNAPJKRFCVPSZKH-HRDYMLBCSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds

About (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol

(1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol (PubChem CID 124705432) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol
PubChem CID124705432
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)C[C@H](O)[C@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H20O/c1-10(2)6-8(12)7-5-9(10)11(7,3)4/h7-9,12H,5-6H2,1-4H3/t7-,8+,9-/m1/s1
InChIKeyNAPJKRFCVPSZKH-HRDYMLBCSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 102239210
(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
(1S,4R,5S)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 131134241
(1R,2R,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
CID 7164520
(1S,2S,4S)-5,5-dimethylbicyclo[2.2.1]heptan-2-ol
CID 11887485
(1R,2R,5S)-4,4-dimethylbicyclo[3.2.0]heptan-2-ol
CID 130927421
(1S,4R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 175710534
(1R,2R,5S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octan-5-ol
CID 126695105
(1R,3aR,4S,6S,7aR)-3,3,6-trimethyl-1,2,3a,4,5,6,7,7a-octahydroindene-1,4-diol
CID 10559883
(1S,2R,4S,5R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol
CID 129321785

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol?
The IUPAC name of (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol (CID 124705432) is (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol is CC1(C)C[C@H](O)[C@H]2C[C@H]1C2(C)C.
What is the InChIKey of (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol?
The InChIKey is NAPJKRFCVPSZKH-HRDYMLBCSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)6-8(12)7-5-9(10)11(7,3)4/h7-9,12H,5-6H2,1-4H3/t7-,8+,9-/m1/s1.
What are the key properties of (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol?
(1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 124705432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).