2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol

C11H20O — CID 102267718

IUPAC2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@H]1CCO
InChIInChI=1S/C11H20O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10,12H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyDUINBOMGEZFPDK-IVZWLZJFSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds2

About 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol

2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol (PubChem CID 102267718) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
PubChem CID102267718
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@H]1CCO
InChIInChI=1S/C11H20O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10,12H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyDUINBOMGEZFPDK-IVZWLZJFSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol?
The IUPAC name of 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol (CID 102267718) is 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol.
What is the SMILES notation for 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol?
The canonical SMILES for 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol is CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1CCO.
What is the InChIKey of 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol?
The InChIKey is DUINBOMGEZFPDK-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10,12H,3-7H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol?
2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol is sourced from PubChem (CID 102267718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).