[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol

C10H18O — CID 140535687

IUPAC[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
SMILESCC1(C)C2C[C@@H]1CC[C@@H]2CO
InChIInChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9?/m1/s1
InChIKeyLDWAIHWGMRVEFR-WGTSGOJVSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds1

About [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol

[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol (PubChem CID 140535687) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol.

Molecular Properties

Compound Name[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
PubChem CID140535687
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
SMILESCC1(C)C2C[C@@H]1CC[C@@H]2CO
InChIInChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9?/m1/s1
InChIKeyLDWAIHWGMRVEFR-WGTSGOJVSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol?
The IUPAC name of [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol (CID 140535687) is [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol.
What is the SMILES notation for [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol?
The canonical SMILES for [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol is CC1(C)C2C[C@@H]1CC[C@@H]2CO.
What is the InChIKey of [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol?
The InChIKey is LDWAIHWGMRVEFR-WGTSGOJVSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9?/m1/s1.
What are the key properties of [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol?
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol is sourced from PubChem (CID 140535687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).