2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol

C11H20O — CID 89342976

IUPAC2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
SMILESCC1(C)C2CC(CCO)C[C@@H]1C2
InChIInChI=1S/C11H20O/c1-11(2)9-5-8(3-4-12)6-10(11)7-9/h8-10,12H,3-7H2,1-2H3/t8?,9-,10?/m1/s1
InChIKeySDUMGXLCCHTXGB-HWOCKDDLSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds2

About 2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol

2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol (PubChem CID 89342976) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol.

Molecular Properties

Compound Name2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
PubChem CID89342976
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol
SMILESCC1(C)C2CC(CCO)C[C@@H]1C2
InChIInChI=1S/C11H20O/c1-11(2)9-5-8(3-4-12)6-10(11)7-9/h8-10,12H,3-7H2,1-2H3/t8?,9-,10?/m1/s1
InChIKeySDUMGXLCCHTXGB-HWOCKDDLSA-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-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
The IUPAC name of 2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol (CID 89342976) is 2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol.
What is the SMILES notation for 2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
The canonical SMILES for 2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol is CC1(C)C2CC(CCO)C[C@@H]1C2.
What is the InChIKey of 2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
The InChIKey is SDUMGXLCCHTXGB-HWOCKDDLSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2)9-5-8(3-4-12)6-10(11)7-9/h8-10,12H,3-7H2,1-2H3/t8?,9-,10?/m1/s1.
What are the key properties of 2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol?
2-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]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-[(5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]ethanol is sourced from PubChem (CID 89342976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).