cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol

C15H22OS — CID 115840619

IUPACcyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCCCC2)C1CCCC1
InChIInChI=1S/C15H22OS/c16-15(11-6-4-5-7-11)14-10-12-8-2-1-3-9-13(12)17-14/h10-11,15-16H,1-9H2
InChIKeyKYJDTGTYVMILDK-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.24
Rot. Bonds2

About cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol

cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol (PubChem CID 115840619) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol.

Molecular Properties

Compound Namecyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
PubChem CID115840619
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Namecyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
SMILESOC(c1cc2c(s1)CCCCC2)C1CCCC1
InChIInChI=1S/C15H22OS/c16-15(11-6-4-5-7-11)14-10-12-8-2-1-3-9-13(12)17-14/h10-11,15-16H,1-9H2
InChIKeyKYJDTGTYVMILDK-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115802136
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-methylcyclohexyl)methanol
CID 115808210
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115778778
2,6-dioxaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115823293
[cyclobutyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105340045
N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660
[2-cyclobutyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]hydrazine
CID 105309957
(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 96777587
3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
CID 115810675
3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol
CID 115809348
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63518430

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The IUPAC name of cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol (CID 115840619) is cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol.
What is the SMILES notation for cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The canonical SMILES for cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol is OC(c1cc2c(s1)CCCCC2)C1CCCC1.
What is the InChIKey of cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The InChIKey is KYJDTGTYVMILDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c16-15(11-6-4-5-7-11)14-10-12-8-2-1-3-9-13(12)17-14/h10-11,15-16H,1-9H2.
What are the key properties of cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol has a molecular weight of 250.41 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol is sourced from PubChem (CID 115840619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).