(6E)-6,7-dimethylnona-1,6-diene

C11H20 — CID 22676542

IUPAC(6E)-6,7-dimethylnona-1,6-diene
SMILESC=CCCC/C(C)=C(\C)CC
InChIInChI=1S/C11H20/c1-5-7-8-9-11(4)10(3)6-2/h5H,1,6-9H2,2-4H3/b11-10+
InChIKeyVFODDOYOJIZKFJ-ZHACJKMWSA-N
MW152.28 g/mol
LogP4.09
Rot. Bonds5

About (6E)-6,7-dimethylnona-1,6-diene

(6E)-6,7-dimethylnona-1,6-diene (PubChem CID 22676542) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (6E)-6,7-dimethylnona-1,6-diene.

Molecular Properties

Compound Name(6E)-6,7-dimethylnona-1,6-diene
PubChem CID22676542
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(6E)-6,7-dimethylnona-1,6-diene
SMILESC=CCCC/C(C)=C(\C)CC
InChIInChI=1S/C11H20/c1-5-7-8-9-11(4)10(3)6-2/h5H,1,6-9H2,2-4H3/b11-10+
InChIKeyVFODDOYOJIZKFJ-ZHACJKMWSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-8-methylnona-1,7-diene
CID 174916778
hex-1-ene;2-methylbut-1-ene
CID 172686626
5-methylidenehept-1-ene
CID 54202269
(E)-3,4-dimethylicos-3-ene
CID 173263978
(4E,7Z)-4-ethylidene-7,8-dimethyldeca-1,7-diene
CID 141018531
non-8-en-4-one
CID 11137251
7-ethylnona-1,7-diene
CID 54551079
(6E)-6-ethylidenedec-1-ene
CID 173031906
(2Z)-octa-2,7-dien-3-ol
CID 11116072
acetic acid;acetyl hex-5-enoate
CID 174849963
3,8-dimethylidenetetradecane;bis(oct-1-ene)
CID 173443691
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656

Frequently Asked Questions

What is the IUPAC name of (6E)-6,7-dimethylnona-1,6-diene?
The IUPAC name of (6E)-6,7-dimethylnona-1,6-diene (CID 22676542) is (6E)-6,7-dimethylnona-1,6-diene.
What is the SMILES notation for (6E)-6,7-dimethylnona-1,6-diene?
The canonical SMILES for (6E)-6,7-dimethylnona-1,6-diene is C=CCCC/C(C)=C(\C)CC.
What is the InChIKey of (6E)-6,7-dimethylnona-1,6-diene?
The InChIKey is VFODDOYOJIZKFJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-8-9-11(4)10(3)6-2/h5H,1,6-9H2,2-4H3/b11-10+.
What are the key properties of (6E)-6,7-dimethylnona-1,6-diene?
(6E)-6,7-dimethylnona-1,6-diene has a molecular weight of 152.28 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6,7-dimethylnona-1,6-diene is sourced from PubChem (CID 22676542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).