1-cyclopentyl-6-thiophen-2-ylhexan-3-ol

C15H24OS — CID 114193701

IUPAC1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
SMILESOC(CCCc1cccs1)CCC1CCCC1
InChIInChI=1S/C15H24OS/c16-14(11-10-13-5-1-2-6-13)7-3-8-15-9-4-12-17-15/h4,9,12-14,16H,1-3,5-8,10-11H2
InChIKeyNTPIAOFLKYSPCD-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.40
Rot. Bonds7

About 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol

1-cyclopentyl-6-thiophen-2-ylhexan-3-ol (PubChem CID 114193701) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
PubChem CID114193701
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
SMILESOC(CCCc1cccs1)CCC1CCCC1
InChIInChI=1S/C15H24OS/c16-14(11-10-13-5-1-2-6-13)7-3-8-15-9-4-12-17-15/h4,9,12-14,16H,1-3,5-8,10-11H2
InChIKeyNTPIAOFLKYSPCD-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol?
The IUPAC name of 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol (CID 114193701) is 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol is OC(CCCc1cccs1)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol?
The InChIKey is NTPIAOFLKYSPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c16-14(11-10-13-5-1-2-6-13)7-3-8-15-9-4-12-17-15/h4,9,12-14,16H,1-3,5-8,10-11H2.
What are the key properties of 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol?
1-cyclopentyl-6-thiophen-2-ylhexan-3-ol has a molecular weight of 252.42 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 114193701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).