(1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

C11H20O — CID 130762416

IUPAC(1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CC[C@](C)([C@@H](O)C1)C2(C)C
InChIInChI=1S/C11H20O/c1-9(2)10(3)5-6-11(9,4)8(12)7-10/h8,12H,5-7H2,1-4H3/t8-,10?,11+/m0/s1
InChIKeyHROJENNCZLYWII-UMYMBVSISA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds

About (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol

(1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 130762416) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
PubChem CID130762416
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CC[C@](C)([C@@H](O)C1)C2(C)C
InChIInChI=1S/C11H20O/c1-9(2)10(3)5-6-11(9,4)8(12)7-10/h8,12H,5-7H2,1-4H3/t8-,10?,11+/m0/s1
InChIKeyHROJENNCZLYWII-UMYMBVSISA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
CID 4633190
3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carbonitrile
CID 18801984
3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carbaldehyde
CID 175429669
2-[(1S,3S,4R)-3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl]acetic acid
CID 129374672
(1S,3R,4S)-3-hydroxy-N'-[(1R,3R,4R)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carbonyl]-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carbohydrazide
CID 98364011
methyl (1R,3R,4R)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 6543385
methyl 2-[(1S,3S,4R)-3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl]acetate
CID 98469645
N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
CID 102547257
benzoyl 3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 176891968
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
(3-hydroxy-4,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 4713555
2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
CID 20501091

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol (CID 130762416) is (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol is CC12CC[C@](C)([C@@H](O)C1)C2(C)C.
What is the InChIKey of (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is HROJENNCZLYWII-UMYMBVSISA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)10(3)5-6-11(9,4)8(12)7-10/h8,12H,5-7H2,1-4H3/t8-,10?,11+/m0/s1.
What are the key properties of (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol?
(1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 130762416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).