(5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol

C15H22O — CID 162403245

IUPAC(5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESC=CCC[C@@H]1C2C=CC(C2O)[C@@H]1CCC=C
InChIInChI=1S/C15H22O/c1-3-5-7-11-12(8-6-4-2)14-10-9-13(11)15(14)16/h3-4,9-16H,1-2,5-8H2/t11-,12+,13?,14?,15?
InChIKeyMUOQVIDLYKCXRV-HONBEQNRSA-N
MW218.34 g/mol
LogP3.33
Rot. Bonds6

About (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol

(5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 162403245) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name(5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol
PubChem CID162403245
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESC=CCC[C@@H]1C2C=CC(C2O)[C@@H]1CCC=C
InChIInChI=1S/C15H22O/c1-3-5-7-11-12(8-6-4-2)14-10-9-13(11)15(14)16/h3-4,9-16H,1-2,5-8H2/t11-,12+,13?,14?,15?
InChIKeyMUOQVIDLYKCXRV-HONBEQNRSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.33
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 (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol (CID 162403245) is (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol is C=CCC[C@@H]1C2C=CC(C2O)[C@@H]1CCC=C.
What is the InChIKey of (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is MUOQVIDLYKCXRV-HONBEQNRSA-N. The full InChI is InChI=1S/C15H22O/c1-3-5-7-11-12(8-6-4-2)14-10-9-13(11)15(14)16/h3-4,9-16H,1-2,5-8H2/t11-,12+,13?,14?,15?.
What are the key properties of (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol?
(5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 218.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-bis(but-3-enyl)bicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 162403245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).