[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol

C11H18O — CID 101262348

IUPAC[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(CO)C2
InChIInChI=1S/C11H18O/c1-8-10(2,3)9-4-5-11(8,6-9)7-12/h9,12H,1,4-7H2,2-3H3/t9-,11+/m1/s1
InChIKeyBHMCYEUVEJHBBH-KOLCDFICSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds1

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

[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 101262348) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol
PubChem CID101262348
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(CO)C2
InChIInChI=1S/C11H18O/c1-8-10(2,3)9-4-5-11(8,6-9)7-12/h9,12H,1,4-7H2,2-3H3/t9-,11+/m1/s1
InChIKeyBHMCYEUVEJHBBH-KOLCDFICSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol (CID 101262348) is [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol is C=C1C(C)(C)[C@@H]2CC[C@@]1(CO)C2.
What is the InChIKey of [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is BHMCYEUVEJHBBH-KOLCDFICSA-N. The full InChI is InChI=1S/C11H18O/c1-8-10(2,3)9-4-5-11(8,6-9)7-12/h9,12H,1,4-7H2,2-3H3/t9-,11+/m1/s1.
What are the key properties of [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol?
[(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 101262348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).