8-cyclopent-3-en-1-yloctan-3-ol

C13H24O — CID 142087297

IUPAC8-cyclopent-3-en-1-yloctan-3-ol
SMILESCCC(O)CCCCCC1CC=CC1
InChIInChI=1S/C13H24O/c1-2-13(14)11-5-3-4-8-12-9-6-7-10-12/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyYLRQNZGJOCMKHF-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.67
Rot. Bonds7

About 8-cyclopent-3-en-1-yloctan-3-ol

8-cyclopent-3-en-1-yloctan-3-ol (PubChem CID 142087297) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 8-cyclopent-3-en-1-yloctan-3-ol.

Molecular Properties

Compound Name8-cyclopent-3-en-1-yloctan-3-ol
PubChem CID142087297
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name8-cyclopent-3-en-1-yloctan-3-ol
SMILESCCC(O)CCCCCC1CC=CC1
InChIInChI=1S/C13H24O/c1-2-13(14)11-5-3-4-8-12-9-6-7-10-12/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyYLRQNZGJOCMKHF-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hexylcyclopentene
CID 10487053
icosan-3-ol
CID 14940768
nonane-3,7-diol
CID 22141483
icosane-3,10-diol
CID 141217833
decane-1,8-diol
CID 160857478
undecane-1,9-diol
CID 56629636
icosane-1,18-diol
CID 87114916
(3R)-10-methylundecan-3-ol
CID 164999222
octane-1,6-diol
CID 159745348
decane-1,2,8-triol
CID 88722169
dodecan-3-ol;propane
CID 159624658
(2R,3R,6S)-6-[(10S)-10-hydroxydodecyl]-2-methylpiperidin-3-ol
CID 162990580

Frequently Asked Questions

What is the IUPAC name of 8-cyclopent-3-en-1-yloctan-3-ol?
The IUPAC name of 8-cyclopent-3-en-1-yloctan-3-ol (CID 142087297) is 8-cyclopent-3-en-1-yloctan-3-ol.
What is the SMILES notation for 8-cyclopent-3-en-1-yloctan-3-ol?
The canonical SMILES for 8-cyclopent-3-en-1-yloctan-3-ol is CCC(O)CCCCCC1CC=CC1.
What is the InChIKey of 8-cyclopent-3-en-1-yloctan-3-ol?
The InChIKey is YLRQNZGJOCMKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-2-13(14)11-5-3-4-8-12-9-6-7-10-12/h6-7,12-14H,2-5,8-11H2,1H3.
What are the key properties of 8-cyclopent-3-en-1-yloctan-3-ol?
8-cyclopent-3-en-1-yloctan-3-ol has a molecular weight of 196.33 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopent-3-en-1-yloctan-3-ol is sourced from PubChem (CID 142087297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).