(3E)-2,5-dimethylnona-1,3-diene

C11H20 — CID 14899752

IUPAC(3E)-2,5-dimethylnona-1,3-diene
SMILESC=C(C)/C=C/C(C)CCCC
InChIInChI=1S/C11H20/c1-5-6-7-11(4)9-8-10(2)3/h8-9,11H,2,5-7H2,1,3-4H3/b9-8+
InChIKeyOMSORCARHLCDTO-CMDGGOBGSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds5

About (3E)-2,5-dimethylnona-1,3-diene

(3E)-2,5-dimethylnona-1,3-diene (PubChem CID 14899752) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (3E)-2,5-dimethylnona-1,3-diene.

Molecular Properties

Compound Name(3E)-2,5-dimethylnona-1,3-diene
PubChem CID14899752
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(3E)-2,5-dimethylnona-1,3-diene
SMILESC=C(C)/C=C/C(C)CCCC
InChIInChI=1S/C11H20/c1-5-6-7-11(4)9-8-10(2)3/h8-9,11H,2,5-7H2,1,3-4H3/b9-8+
InChIKeyOMSORCARHLCDTO-CMDGGOBGSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-6-methyldeca-2,4-dien-3-amine
CID 156711872
(E,5S)-5-methylnon-3-ene
CID 101420891
4-methyloct-2-ene
CID 528286
5-methylnona-1,3-diene
CID 90893682
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
(1E,3E)-5-methylnona-1,3-dien-1-ol
CID 145221921
(E)-4-methyltetradec-2-enoic acid
CID 173352049
2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene
CID 123243891
(4Z)-2-N-heptan-3-yl-3-N,6-dimethylhepta-1,4,6-triene-2,3-diamine
CID 171553943
(E)-5-methyldodec-3-ene
CID 173194511
5-methyldodec-6-ene
CID 86165480
ethane;3-methylheptane;(3Z)-2,6,9-trimethyl-5-methylideneundeca-1,3-diene
CID 143901355

Frequently Asked Questions

What is the IUPAC name of (3E)-2,5-dimethylnona-1,3-diene?
The IUPAC name of (3E)-2,5-dimethylnona-1,3-diene (CID 14899752) is (3E)-2,5-dimethylnona-1,3-diene.
What is the SMILES notation for (3E)-2,5-dimethylnona-1,3-diene?
The canonical SMILES for (3E)-2,5-dimethylnona-1,3-diene is C=C(C)/C=C/C(C)CCCC.
What is the InChIKey of (3E)-2,5-dimethylnona-1,3-diene?
The InChIKey is OMSORCARHLCDTO-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20/c1-5-6-7-11(4)9-8-10(2)3/h8-9,11H,2,5-7H2,1,3-4H3/b9-8+.
What are the key properties of (3E)-2,5-dimethylnona-1,3-diene?
(3E)-2,5-dimethylnona-1,3-diene has a molecular weight of 152.28 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,5-dimethylnona-1,3-diene is sourced from PubChem (CID 14899752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).