8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol

C23H40O2 — CID 54523599

IUPAC8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol
SMILESCCCCC=CCCC=C[C@H]1C=CC[C@@H]1CCCCCCC(O)CO
InChIInChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-11-15-21-17-14-18-22(21)16-12-9-10-13-19-23(25)20-24/h5-6,11,14-15,17,21-25H,2-4,7-10,12-13,16,18-20H2,1H3/t21-,22-,23?/m0/s1
InChIKeyYROGEDYWTFUTNS-OJSMNCEXSA-N
MW348.57 g/mol
LogP5.96
Rot. Bonds15

About 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol

8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol (PubChem CID 54523599) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol.

Molecular Properties

Compound Name8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol
PubChem CID54523599
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Name8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol
SMILESCCCCC=CCCC=C[C@H]1C=CC[C@@H]1CCCCCCC(O)CO
InChIInChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-11-15-21-17-14-18-22(21)16-12-9-10-13-19-23(25)20-24/h5-6,11,14-15,17,21-25H,2-4,7-10,12-13,16,18-20H2,1H3/t21-,22-,23?/m0/s1
InChIKeyYROGEDYWTFUTNS-OJSMNCEXSA-N
XLogP5.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol with MolForge

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Related Compounds

(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene
CID 22811219
8-[(1S,2R)-2-[(4S)-4-methylocta-1,5-dienyl]cyclopent-3-en-1-yl]octane-1,2-diol
CID 70581480
[2-hydroxy-8-[(1S,2R)-2-[(4R)-4-methyldec-1-enyl]cyclopent-3-en-1-yl]octyl] acetate
CID 54361412
(3S,4S)-3-oct-1-enyl-4-oct-2-enylcyclopentene
CID 57204921
octadec-9-ene-1,2-diol
CID 139720566
2-ethenyl-8-[(1S,2R)-2-[(4S)-4-methyldeca-1,5-dienyl]cyclopent-3-en-1-yl]octane-1,2-diol
CID 54105015
hexadecane-1,2-diol;(Z)-octadec-9-en-1-ol
CID 86739633
(E)-nonadec-5-ene-1,2-diol
CID 142781627
(E)-hentetracont-36-en-5-ol
CID 87492179
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol?
The IUPAC name of 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol (CID 54523599) is 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol.
What is the SMILES notation for 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol?
The canonical SMILES for 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol is CCCCC=CCCC=C[C@H]1C=CC[C@@H]1CCCCCCC(O)CO.
What is the InChIKey of 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol?
The InChIKey is YROGEDYWTFUTNS-OJSMNCEXSA-N. The full InChI is InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-11-15-21-17-14-18-22(21)16-12-9-10-13-19-23(25)20-24/h5-6,11,14-15,17,21-25H,2-4,7-10,12-13,16,18-20H2,1H3/t21-,22-,23?/m0/s1.
What are the key properties of 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol?
8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol has a molecular weight of 348.57 g/mol, XLogP of 5.96, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2S)-2-deca-1,5-dienylcyclopent-3-en-1-yl]octane-1,2-diol is sourced from PubChem (CID 54523599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).