1-cycloheptyl-3-methylsulfanylpropan-1-ol

C11H22OS — CID 82928181

IUPAC1-cycloheptyl-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1CCCCCC1
InChIInChI=1S/C11H22OS/c1-13-9-8-11(12)10-6-4-2-3-5-7-10/h10-12H,2-9H2,1H3
InChIKeySSIHSFUWJJYUQL-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.07
Rot. Bonds4

About 1-cycloheptyl-3-methylsulfanylpropan-1-ol

1-cycloheptyl-3-methylsulfanylpropan-1-ol (PubChem CID 82928181) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 1-cycloheptyl-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-3-methylsulfanylpropan-1-ol
PubChem CID82928181
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name1-cycloheptyl-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1CCCCCC1
InChIInChI=1S/C11H22OS/c1-13-9-8-11(12)10-6-4-2-3-5-7-10/h10-12H,2-9H2,1H3
InChIKeySSIHSFUWJJYUQL-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclooctylundecan-1-ol
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(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
1-cycloheptyl-2-ethylsulfanylethanol
CID 82931500
(1S)-1-cyclopropyl-2-methylsulfanylethanol
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1-cyclohexylpent-4-yn-1-ol
CID 63657295
1-cyclohexylheptane-1,7-diol
CID 67923944
1-cyclohexyldodecane-1,12-diol
CID 11161921
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-cycloheptyl-3-methylsulfanylpropan-1-ol (CID 82928181) is 1-cycloheptyl-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-cycloheptyl-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-cycloheptyl-3-methylsulfanylpropan-1-ol is CSCCC(O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-methylsulfanylpropan-1-ol?
The InChIKey is SSIHSFUWJJYUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-13-9-8-11(12)10-6-4-2-3-5-7-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-cycloheptyl-3-methylsulfanylpropan-1-ol?
1-cycloheptyl-3-methylsulfanylpropan-1-ol has a molecular weight of 202.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 82928181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).