1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol

C14H24OS — CID 71132461

IUPAC1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol
SMILESCC(O)CSC(C)C1(C)C2C=CC(C2)C1C
InChIInChI=1S/C14H24OS/c1-9(15)8-16-11(3)14(4)10(2)12-5-6-13(14)7-12/h5-6,9-13,15H,7-8H2,1-4H3
InChIKeyWLDYYGOZRCBNOU-UHFFFAOYSA-N
MW240.41 g/mol
LogP3.34
Rot. Bonds4

About 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol

1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol (PubChem CID 71132461) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol
PubChem CID71132461
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol
SMILESCC(O)CSC(C)C1(C)C2C=CC(C2)C1C
InChIInChI=1S/C14H24OS/c1-9(15)8-16-11(3)14(4)10(2)12-5-6-13(14)7-12/h5-6,9-13,15H,7-8H2,1-4H3
InChIKeyWLDYYGOZRCBNOU-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.34
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 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol?
The IUPAC name of 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol (CID 71132461) is 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol?
The canonical SMILES for 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol is CC(O)CSC(C)C1(C)C2C=CC(C2)C1C.
What is the InChIKey of 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol?
The InChIKey is WLDYYGOZRCBNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-9(15)8-16-11(3)14(4)10(2)12-5-6-13(14)7-12/h5-6,9-13,15H,7-8H2,1-4H3.
What are the key properties of 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol?
1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol has a molecular weight of 240.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]propan-2-ol is sourced from PubChem (CID 71132461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).