(3S,5S)-1-iodo-5-methylnon-1-en-3-ol

C10H19IO — CID 54035971

IUPAC(3S,5S)-1-iodo-5-methylnon-1-en-3-ol
SMILESCCCC[C@H](C)C[C@H](O)C=CI
InChIInChI=1S/C10H19IO/c1-3-4-5-9(2)8-10(12)6-7-11/h6-7,9-10,12H,3-5,8H2,1-2H3/t9-,10+/m0/s1
InChIKeyLIYPSGLLRNCNBR-VHSXEESVSA-N
MW282.16 g/mol
LogP3.51
Rot. Bonds6

About (3S,5S)-1-iodo-5-methylnon-1-en-3-ol

(3S,5S)-1-iodo-5-methylnon-1-en-3-ol (PubChem CID 54035971) has the molecular formula C10H19IO and a molecular weight of 282.16 g/mol. Its IUPAC name is (3S,5S)-1-iodo-5-methylnon-1-en-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-iodo-5-methylnon-1-en-3-ol
PubChem CID54035971
Molecular FormulaC10H19IO
Molecular Weight282.16 g/mol
Exact Mass282.05
IUPAC Name(3S,5S)-1-iodo-5-methylnon-1-en-3-ol
SMILESCCCC[C@H](C)C[C@H](O)C=CI
InChIInChI=1S/C10H19IO/c1-3-4-5-9(2)8-10(12)6-7-11/h6-7,9-10,12H,3-5,8H2,1-2H3/t9-,10+/m0/s1
InChIKeyLIYPSGLLRNCNBR-VHSXEESVSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54007857
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CID 91033593
4,6-dimethyldec-2-ene
CID 123345769
7-butoxy-6-methylhept-2-en-4-ol
CID 54035964
2-hydroxy-6-methyldecan-3-one
CID 91029321
1-[(E,3R,5S)-3-hydroxy-5-methylnon-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 141034315
2,4-dimethyloctane;ethene
CID 156719555
5,15,17-trimethylpentatriacontane
CID 172565406
(7E)-4,9-dimethyldeca-7,9-diene-1,6-diol
CID 14805466
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CID 159157237

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-iodo-5-methylnon-1-en-3-ol?
The IUPAC name of (3S,5S)-1-iodo-5-methylnon-1-en-3-ol (CID 54035971) is (3S,5S)-1-iodo-5-methylnon-1-en-3-ol.
What is the SMILES notation for (3S,5S)-1-iodo-5-methylnon-1-en-3-ol?
The canonical SMILES for (3S,5S)-1-iodo-5-methylnon-1-en-3-ol is CCCC[C@H](C)C[C@H](O)C=CI.
What is the InChIKey of (3S,5S)-1-iodo-5-methylnon-1-en-3-ol?
The InChIKey is LIYPSGLLRNCNBR-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19IO/c1-3-4-5-9(2)8-10(12)6-7-11/h6-7,9-10,12H,3-5,8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (3S,5S)-1-iodo-5-methylnon-1-en-3-ol?
(3S,5S)-1-iodo-5-methylnon-1-en-3-ol has a molecular weight of 282.16 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-iodo-5-methylnon-1-en-3-ol is sourced from PubChem (CID 54035971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).