2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol

C14H24OS — CID 20649895

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol
SMILESCCCCC(CO)SCC1CC2C=CC1C2
InChIInChI=1S/C14H24OS/c1-2-3-4-14(9-15)16-10-13-8-11-5-6-12(13)7-11/h5-6,11-15H,2-4,7-10H2,1H3
InChIKeyCFFRHYXBRUBJJY-UHFFFAOYSA-N
MW240.41 g/mol
LogP3.48
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol

2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol (PubChem CID 20649895) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol
PubChem CID20649895
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol
SMILESCCCCC(CO)SCC1CC2C=CC1C2
InChIInChI=1S/C14H24OS/c1-2-3-4-14(9-15)16-10-13-8-11-5-6-12(13)7-11/h5-6,11-15H,2-4,7-10H2,1H3
InChIKeyCFFRHYXBRUBJJY-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]-2-ethylsulfanylbut-3-en-1-ol
CID 638932
1-(5-Ethenylcyclopent-2-en-1-yl)-2-ethylsulfanylbut-3-en-1-ol
CID 22298064
1-(2-Bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-2-ol
CID 20649857
1-(2-Bicyclo[2.2.1]hept-5-enylsulfanyl)hexan-2-ol
CID 20649862
2-(2-Bicyclo[2.2.1]hept-5-enylsulfanyl)hexan-1-ol
CID 20649899
(3-Methyl-2,3,3a,4,7,7a-hexahydro-1-benzothiophen-2-yl)methanol
CID 68199936
[(2R)-3-methyl-2,3,3a,4,7,7a-hexahydro-1-benzothiophen-2-yl]methanol
CID 68213044
2-(7-Thiabicyclo[2.2.1]hept-5-en-2-yl)ethanol
CID 68585629
2-[1-(2,3-Dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylsulfanyl]ethanol
CID 71132462
4-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methylthiolan-2-ol
CID 129300171
[(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-lambda4-sulfanyl)prop-1-enyl]cyclopentyl]methanol
CID 134402660
2-(7-Thiabicyclo[2.2.1]hept-2-en-1-yl)ethanol
CID 140069970

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol (CID 20649895) is 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol is CCCCC(CO)SCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol?
The InChIKey is CFFRHYXBRUBJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-3-4-14(9-15)16-10-13-8-11-5-6-12(13)7-11/h5-6,11-15H,2-4,7-10H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol?
2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol has a molecular weight of 240.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethylsulfanyl)hexan-1-ol is sourced from PubChem (CID 20649895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).