cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

C16H27NO — CID 65023139

IUPACcyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)C2CCCCCCC2)c(C)c1C
InChIInChI=1S/C16H27NO/c1-11-12(2)15(17-13(11)3)16(18)14-9-7-5-4-6-8-10-14/h14,16-18H,4-10H2,1-3H3
InChIKeyMBMACSQEJJTLKJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.33
Rot. Bonds2

About cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 65023139) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Namecyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID65023139
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Namecyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)C2CCCCCCC2)c(C)c1C
InChIInChI=1S/C16H27NO/c1-11-12(2)15(17-13(11)3)16(18)14-9-7-5-4-6-8-10-14/h14,16-18H,4-10H2,1-3H3
InChIKeyMBMACSQEJJTLKJ-UHFFFAOYSA-N
XLogP4.33
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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cyclooctyl(cyclopropyl)methanol
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1-cyclohexyl-2-cyclopentylethane-1,2-diol
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CID 10501710
CID 10501710
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
cycloheptyl-(3-fluoro-5-methylphenyl)methanol
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5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
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1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 65023139) is cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is Cc1[nH]c(C(O)C2CCCCCCC2)c(C)c1C.
What is the InChIKey of cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is MBMACSQEJJTLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-12(2)15(17-13(11)3)16(18)14-9-7-5-4-6-8-10-14/h14,16-18H,4-10H2,1-3H3.
What are the key properties of cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol has a molecular weight of 249.40 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 65023139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).