(R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol

C15H20O2 — CID 122525698

IUPAC(R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol
SMILESC=C1[C@H]([C@@H](O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H20O2/c1-9-11(14(16)13-5-4-6-17-13)7-10-8-12(9)15(10,2)3/h4-6,10-12,14,16H,1,7-8H2,2-3H3/t10-,11+,12-,14+/m0/s1
InChIKeyMZPNUCTYZWFVGY-KZVDOYCCSA-N
MW232.32 g/mol
LogP3.55
Rot. Bonds2

About (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol

(R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol (PubChem CID 122525698) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol.

Molecular Properties

Compound Name(R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol
PubChem CID122525698
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol
SMILESC=C1[C@H]([C@@H](O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H20O2/c1-9-11(14(16)13-5-4-6-17-13)7-10-8-12(9)15(10,2)3/h4-6,10-12,14,16H,1,7-8H2,2-3H3/t10-,11+,12-,14+/m0/s1
InChIKeyMZPNUCTYZWFVGY-KZVDOYCCSA-N
XLogP3.55
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol?
The IUPAC name of (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol (CID 122525698) is (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol.
What is the SMILES notation for (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol?
The canonical SMILES for (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol is C=C1[C@H]([C@@H](O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol?
The InChIKey is MZPNUCTYZWFVGY-KZVDOYCCSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-11(14(16)13-5-4-6-17-13)7-10-8-12(9)15(10,2)3/h4-6,10-12,14,16H,1,7-8H2,2-3H3/t10-,11+,12-,14+/m0/s1.
What are the key properties of (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol?
(R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol has a molecular weight of 232.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol is sourced from PubChem (CID 122525698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).