1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol

C17H24O — CID 91557202

IUPAC1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol
SMILESCC(=CC1CC2CC12)C1C2C=CC(C2)C1C(C)O
InChIInChI=1S/C17H24O/c1-9(5-13-7-14-8-15(13)14)16-11-3-4-12(6-11)17(16)10(2)18/h3-5,10-18H,6-8H2,1-2H3
InChIKeyGRCMQPOJRTZRFG-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.41
Rot. Bonds3

About 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol

1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol (PubChem CID 91557202) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol.

Molecular Properties

Compound Name1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol
PubChem CID91557202
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol
SMILESCC(=CC1CC2CC12)C1C2C=CC(C2)C1C(C)O
InChIInChI=1S/C17H24O/c1-9(5-13-7-14-8-15(13)14)16-11-3-4-12(6-11)17(16)10(2)18/h3-5,10-18H,6-8H2,1-2H3
InChIKeyGRCMQPOJRTZRFG-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.41
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 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
The IUPAC name of 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol (CID 91557202) is 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol.
What is the SMILES notation for 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
The canonical SMILES for 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol is CC(=CC1CC2CC12)C1C2C=CC(C2)C1C(C)O.
What is the InChIKey of 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
The InChIKey is GRCMQPOJRTZRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-9(5-13-7-14-8-15(13)14)16-11-3-4-12(6-11)17(16)10(2)18/h3-5,10-18H,6-8H2,1-2H3.
What are the key properties of 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol has a molecular weight of 244.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-bicyclo[2.1.0]pentanyl)prop-1-en-2-yl]-2-bicyclo[2.2.1]hept-5-enyl]ethanol is sourced from PubChem (CID 91557202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).