(3S)-1-iodooct-1-en-3-ol

C8H15IO — CID 54007858

IUPAC(3S)-1-iodooct-1-en-3-ol
SMILESCCCCC[C@H](O)C=CI
InChIInChI=1S/C8H15IO/c1-2-3-4-5-8(10)6-7-9/h6-8,10H,2-5H2,1H3/t8-/m0/s1
InChIKeyKQDYMAYUKUZGDA-QMMMGPOBSA-N
MW254.11 g/mol
LogP2.88
Rot. Bonds5

About (3S)-1-iodooct-1-en-3-ol

(3S)-1-iodooct-1-en-3-ol (PubChem CID 54007858) has the molecular formula C8H15IO and a molecular weight of 254.11 g/mol. Its IUPAC name is (3S)-1-iodooct-1-en-3-ol.

Molecular Properties

Compound Name(3S)-1-iodooct-1-en-3-ol
PubChem CID54007858
Molecular FormulaC8H15IO
Molecular Weight254.11 g/mol
Exact Mass254.02
IUPAC Name(3S)-1-iodooct-1-en-3-ol
SMILESCCCCC[C@H](O)C=CI
InChIInChI=1S/C8H15IO/c1-2-3-4-5-8(10)6-7-9/h6-8,10H,2-5H2,1H3/t8-/m0/s1
InChIKeyKQDYMAYUKUZGDA-QMMMGPOBSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(3R)-1-iodooct-1-en-3-ol
CID 54007857
(E)-1-chlorooct-1-en-3-ol
CID 14723484
(Z)-undec-2-en-4-ol
CID 14320443
(E)-non-2-ene-1,4-diol
CID 14106146
octadec-3-en-5-ol
CID 144649733
(E,4R)-non-2-ene-1,4-diol
CID 11030095
(3S,5S)-1-iodo-5-methylnon-1-en-3-ol
CID 54035971
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
4-hydroxyheptacos-2-enoic acid
CID 88698148

Frequently Asked Questions

What is the IUPAC name of (3S)-1-iodooct-1-en-3-ol?
The IUPAC name of (3S)-1-iodooct-1-en-3-ol (CID 54007858) is (3S)-1-iodooct-1-en-3-ol.
What is the SMILES notation for (3S)-1-iodooct-1-en-3-ol?
The canonical SMILES for (3S)-1-iodooct-1-en-3-ol is CCCCC[C@H](O)C=CI.
What is the InChIKey of (3S)-1-iodooct-1-en-3-ol?
The InChIKey is KQDYMAYUKUZGDA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15IO/c1-2-3-4-5-8(10)6-7-9/h6-8,10H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-iodooct-1-en-3-ol?
(3S)-1-iodooct-1-en-3-ol has a molecular weight of 254.11 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-iodooct-1-en-3-ol is sourced from PubChem (CID 54007858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).