(3E)-3-methylnona-1,3-diene

C10H18 — CID 13382655

IUPAC(3E)-3-methylnona-1,3-diene
SMILESC=C/C(C)=C/CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h5,9H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyJHRQUWCTFNNOLW-MDZDMXLPSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds5

About (3E)-3-methylnona-1,3-diene

(3E)-3-methylnona-1,3-diene (PubChem CID 13382655) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3E)-3-methylnona-1,3-diene.

Molecular Properties

Compound Name(3E)-3-methylnona-1,3-diene
PubChem CID13382655
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3E)-3-methylnona-1,3-diene
SMILESC=C/C(C)=C/CCCCC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h5,9H,2,4,6-8H2,1,3H3/b10-9+
InChIKeyJHRQUWCTFNNOLW-MDZDMXLPSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-methyldodeca-1,3-diene
CID 13382661
(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
CID 142629908
(4E)-2,4-dimethylundeca-2,4-diene
CID 102247749
(E)-3-ethenylnon-3-en-2-one
CID 24976667
(6E)-7-methylnona-6,8-dienoic acid
CID 14813173
3,7-dimethyloctadeca-1,3,6-triene
CID 174988182
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
[(E)-oct-2-en-2-yl] prop-2-enoate
CID 50900903
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(E)-3-methylnon-3-ene
CID 5364647
(E)-oct-2-en-2-amine
CID 87259480
[(3E)-icosa-1,3-dien-3-yl] acetate
CID 142750410

Frequently Asked Questions

What is the IUPAC name of (3E)-3-methylnona-1,3-diene?
The IUPAC name of (3E)-3-methylnona-1,3-diene (CID 13382655) is (3E)-3-methylnona-1,3-diene.
What is the SMILES notation for (3E)-3-methylnona-1,3-diene?
The canonical SMILES for (3E)-3-methylnona-1,3-diene is C=C/C(C)=C/CCCCC.
What is the InChIKey of (3E)-3-methylnona-1,3-diene?
The InChIKey is JHRQUWCTFNNOLW-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h5,9H,2,4,6-8H2,1,3H3/b10-9+.
What are the key properties of (3E)-3-methylnona-1,3-diene?
(3E)-3-methylnona-1,3-diene has a molecular weight of 138.25 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methylnona-1,3-diene is sourced from PubChem (CID 13382655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).