(1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene

C10H17I — CID 59372903

IUPAC(1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene
SMILESCCC/C=C\C[C@H](C)/C=C/I
InChIInChI=1S/C10H17I/c1-3-4-5-6-7-10(2)8-9-11/h5-6,8-10H,3-4,7H2,1-2H3/b6-5-,9-8+/t10-/m0/s1
InChIKeyFFMFBKZJTQYGQO-YAVGSKQCSA-N
MW264.15 g/mol
LogP4.32
Rot. Bonds5

About (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene

(1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene (PubChem CID 59372903) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene.

Molecular Properties

Compound Name(1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene
PubChem CID59372903
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name(1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene
SMILESCCC/C=C\C[C@H](C)/C=C/I
InChIInChI=1S/C10H17I/c1-3-4-5-6-7-10(2)8-9-11/h5-6,8-10H,3-4,7H2,1-2H3/b6-5-,9-8+/t10-/m0/s1
InChIKeyFFMFBKZJTQYGQO-YAVGSKQCSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-methylnona-1,5-diene
CID 145064168
4-methylundeca-2,6-diene
CID 173179145
(E,3S)-1-iodo-3-methylpent-1-ene
CID 24773193
2-bromooct-4-ene
CID 142101254
(6R)-6-methylnon-4-ene
CID 175484589
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(E,2S,3R)-3-methylnon-5-en-2-ol
CID 122413916
3-methylnon-5-en-2-ol
CID 91526423
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905
(4Z,8E)-dodeca-4,8-diene
CID 12576906
7-ethyl-8,9-dimethyldec-4-ene
CID 123481723

Frequently Asked Questions

What is the IUPAC name of (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene?
The IUPAC name of (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene (CID 59372903) is (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene.
What is the SMILES notation for (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene?
The canonical SMILES for (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene is CCC/C=C\C[C@H](C)/C=C/I.
What is the InChIKey of (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene?
The InChIKey is FFMFBKZJTQYGQO-YAVGSKQCSA-N. The full InChI is InChI=1S/C10H17I/c1-3-4-5-6-7-10(2)8-9-11/h5-6,8-10H,3-4,7H2,1-2H3/b6-5-,9-8+/t10-/m0/s1.
What are the key properties of (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene?
(1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene has a molecular weight of 264.15 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene is sourced from PubChem (CID 59372903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).