1-iodo-3-methyldec-1-ene-3,4-diol

C11H21IO2 — CID 57012845

IUPAC1-iodo-3-methyldec-1-ene-3,4-diol
SMILESCCCCCCC(O)C(C)(O)C=CI
InChIInChI=1S/C11H21IO2/c1-3-4-5-6-7-10(13)11(2,14)8-9-12/h8-10,13-14H,3-7H2,1-2H3
InChIKeyZSEPVOCIADFQQD-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.02
Rot. Bonds7

About 1-iodo-3-methyldec-1-ene-3,4-diol

1-iodo-3-methyldec-1-ene-3,4-diol (PubChem CID 57012845) has the molecular formula C11H21IO2 and a molecular weight of 312.19 g/mol. Its IUPAC name is 1-iodo-3-methyldec-1-ene-3,4-diol.

Molecular Properties

Compound Name1-iodo-3-methyldec-1-ene-3,4-diol
PubChem CID57012845
Molecular FormulaC11H21IO2
Molecular Weight312.19 g/mol
Exact Mass312.06
IUPAC Name1-iodo-3-methyldec-1-ene-3,4-diol
SMILESCCCCCCC(O)C(C)(O)C=CI
InChIInChI=1S/C11H21IO2/c1-3-4-5-6-7-10(13)11(2,14)8-9-12/h8-10,13-14H,3-7H2,1-2H3
InChIKeyZSEPVOCIADFQQD-UHFFFAOYSA-N
XLogP3.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
3-methyldodecane-3,4-diol
CID 103448703
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
(3R,4S)-3-ethyl-3-methyldec-1-en-4-ol
CID 100923980
(3S)-3-hydroxy-2,2-dimethyldecanoic acid
CID 11413287
8-pentylhexadecane-8,9-diol
CID 141007443
7-heptyltetradecane-6,7,8-triol
CID 57173572
10-heptylicosane-9,10,11-triol
CID 91021869
(5R,6R)-5-ethenyl-5-propyldodecan-6-ol
CID 10354987

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-methyldec-1-ene-3,4-diol?
The IUPAC name of 1-iodo-3-methyldec-1-ene-3,4-diol (CID 57012845) is 1-iodo-3-methyldec-1-ene-3,4-diol.
What is the SMILES notation for 1-iodo-3-methyldec-1-ene-3,4-diol?
The canonical SMILES for 1-iodo-3-methyldec-1-ene-3,4-diol is CCCCCCC(O)C(C)(O)C=CI.
What is the InChIKey of 1-iodo-3-methyldec-1-ene-3,4-diol?
The InChIKey is ZSEPVOCIADFQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO2/c1-3-4-5-6-7-10(13)11(2,14)8-9-12/h8-10,13-14H,3-7H2,1-2H3.
What are the key properties of 1-iodo-3-methyldec-1-ene-3,4-diol?
1-iodo-3-methyldec-1-ene-3,4-diol has a molecular weight of 312.19 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-methyldec-1-ene-3,4-diol is sourced from PubChem (CID 57012845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).