4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol

C13H20O — CID 165347648

IUPAC4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol
SMILESC=CC1CC2CC1CC2C=CC(C)O
InChIInChI=1S/C13H20O/c1-3-10-6-13-8-12(10)7-11(13)5-4-9(2)14/h3-5,9-14H,1,6-8H2,2H3
InChIKeyLNFQIYCKFBEDAM-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.77
Rot. Bonds3

About 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol

4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol (PubChem CID 165347648) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol.

Molecular Properties

Compound Name4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol
PubChem CID165347648
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol
SMILESC=CC1CC2CC1CC2C=CC(C)O
InChIInChI=1S/C13H20O/c1-3-10-6-13-8-12(10)7-11(13)5-4-9(2)14/h3-5,9-14H,1,6-8H2,2H3
InChIKeyLNFQIYCKFBEDAM-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.77
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 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol?
The IUPAC name of 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol (CID 165347648) is 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol.
What is the SMILES notation for 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol?
The canonical SMILES for 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol is C=CC1CC2CC1CC2C=CC(C)O.
What is the InChIKey of 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol?
The InChIKey is LNFQIYCKFBEDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-10-6-13-8-12(10)7-11(13)5-4-9(2)14/h3-5,9-14H,1,6-8H2,2H3.
What are the key properties of 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol?
4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol has a molecular weight of 192.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethenyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-ol is sourced from PubChem (CID 165347648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).