(5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol

C10H16O — CID 14046276

IUPAC(5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol
SMILESC=CC1CC2CC1CC2CO
InChIInChI=1S/C10H16O/c1-2-7-3-9-4-8(7)5-10(9)6-11/h2,7-11H,1,3-6H2
InChIKeyYCTXRZULUNEXCY-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.83
Rot. Bonds2

About (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol

(5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol (PubChem CID 14046276) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol.

Molecular Properties

Compound Name(5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol
PubChem CID14046276
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol
SMILESC=CC1CC2CC1CC2CO
InChIInChI=1S/C10H16O/c1-2-7-3-9-4-8(7)5-10(9)6-11/h2,7-11H,1,3-6H2
InChIKeyYCTXRZULUNEXCY-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.83
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 (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol?
The IUPAC name of (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol (CID 14046276) is (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol.
What is the SMILES notation for (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol?
The canonical SMILES for (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol is C=CC1CC2CC1CC2CO.
What is the InChIKey of (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol?
The InChIKey is YCTXRZULUNEXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-7-3-9-4-8(7)5-10(9)6-11/h2,7-11H,1,3-6H2.
What are the key properties of (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol?
(5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol has a molecular weight of 152.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-2-bicyclo[2.2.1]heptanyl)methanol is sourced from PubChem (CID 14046276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).