4-cyclopentylhexa-1,5-diene-2-thiol

C11H18S — CID 156544899

IUPAC4-cyclopentylhexa-1,5-diene-2-thiol
SMILESC=CC(CC(=C)S)C1CCCC1
InChIInChI=1S/C11H18S/c1-3-10(8-9(2)12)11-6-4-5-7-11/h3,10-12H,1-2,4-8H2
InChIKeyFDYXHWIPRBKQTQ-UHFFFAOYSA-N
MW182.33 g/mol
LogP3.81
Rot. Bonds4

About 4-cyclopentylhexa-1,5-diene-2-thiol

4-cyclopentylhexa-1,5-diene-2-thiol (PubChem CID 156544899) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 4-cyclopentylhexa-1,5-diene-2-thiol.

Molecular Properties

Compound Name4-cyclopentylhexa-1,5-diene-2-thiol
PubChem CID156544899
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name4-cyclopentylhexa-1,5-diene-2-thiol
SMILESC=CC(CC(=C)S)C1CCCC1
InChIInChI=1S/C11H18S/c1-3-10(8-9(2)12)11-6-4-5-7-11/h3,10-12H,1-2,4-8H2
InChIKeyFDYXHWIPRBKQTQ-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-Hexenylcyclopentane
CID 20565123
8-Nonenylcyclopentane
CID 86044346
7-Octenylcyclopentane
CID 86044483
6-Heptenylcyclopentane
CID 86220881
2-(Cyclopentylmethyl)-1,1-difluorobut-3-ene-1-thiol
CID 144703764
9-Decenylcyclopentane
CID 86044379
Pent-4-en-2-ylcyclopentane
CID 20548664
Octa-1,7-dien-3-ylcyclopentane
CID 22079093
2-Methylhex-5-en-3-ylcyclopentane
CID 23385001
3-Ethenylpent-4-enylcyclopentane
CID 53994043
[(3S)-2-methylhex-5-en-3-yl]cyclopentane
CID 59039407
[(3R)-2-methylhex-5-en-3-yl]cyclopentane
CID 59911295

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylhexa-1,5-diene-2-thiol?
The IUPAC name of 4-cyclopentylhexa-1,5-diene-2-thiol (CID 156544899) is 4-cyclopentylhexa-1,5-diene-2-thiol.
What is the SMILES notation for 4-cyclopentylhexa-1,5-diene-2-thiol?
The canonical SMILES for 4-cyclopentylhexa-1,5-diene-2-thiol is C=CC(CC(=C)S)C1CCCC1.
What is the InChIKey of 4-cyclopentylhexa-1,5-diene-2-thiol?
The InChIKey is FDYXHWIPRBKQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-3-10(8-9(2)12)11-6-4-5-7-11/h3,10-12H,1-2,4-8H2.
What are the key properties of 4-cyclopentylhexa-1,5-diene-2-thiol?
4-cyclopentylhexa-1,5-diene-2-thiol has a molecular weight of 182.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylhexa-1,5-diene-2-thiol is sourced from PubChem (CID 156544899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).