(6E)-3-methylocta-1,6-diene

C9H16 — CID 14140905

IUPAC(6E)-3-methylocta-1,6-diene
SMILESC=CC(C)CC/C=C/C
InChIInChI=1S/C9H16/c1-4-6-7-8-9(3)5-2/h4-6,9H,2,7-8H2,1,3H3/b6-4+
InChIKeyNXUXXYSXZBJSIN-GQCTYLIASA-N
MW124.23 g/mol
LogP3.16
Rot. Bonds4

About (6E)-3-methylocta-1,6-diene

(6E)-3-methylocta-1,6-diene (PubChem CID 14140905) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (6E)-3-methylocta-1,6-diene.

Molecular Properties

Compound Name(6E)-3-methylocta-1,6-diene
PubChem CID14140905
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(6E)-3-methylocta-1,6-diene
SMILESC=CC(C)CC/C=C/C
InChIInChI=1S/C9H16/c1-4-6-7-8-9(3)5-2/h4-6,9H,2,7-8H2,1,3H3/b6-4+
InChIKeyNXUXXYSXZBJSIN-GQCTYLIASA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,9-dimethyldeca-1,6-diene
CID 173018442
(3S)-3-methylhepta-1,6-diene
CID 145257056
(3S,5Z)-3-methylhepta-1,5-diene
CID 24884419
hept-5-en-2-amine
CID 72784707
3,9-dimethylundeca-1,6-diene
CID 173245384
(3E)-N,7-dimethylnona-3,8-dien-2-amine
CID 163884829
(7E)-4-methylnona-1,7-diene
CID 173060914
tetrakis(pent-3-enyl)phosphanium
CID 154314281
6,7-dimethyloct-2-ene
CID 54205493
(E)-3-methyloct-6-en-1-ol
CID 14091580
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
3,6-dimethylhept-1-ene
CID 18443713

Frequently Asked Questions

What is the IUPAC name of (6E)-3-methylocta-1,6-diene?
The IUPAC name of (6E)-3-methylocta-1,6-diene (CID 14140905) is (6E)-3-methylocta-1,6-diene.
What is the SMILES notation for (6E)-3-methylocta-1,6-diene?
The canonical SMILES for (6E)-3-methylocta-1,6-diene is C=CC(C)CC/C=C/C.
What is the InChIKey of (6E)-3-methylocta-1,6-diene?
The InChIKey is NXUXXYSXZBJSIN-GQCTYLIASA-N. The full InChI is InChI=1S/C9H16/c1-4-6-7-8-9(3)5-2/h4-6,9H,2,7-8H2,1,3H3/b6-4+.
What are the key properties of (6E)-3-methylocta-1,6-diene?
(6E)-3-methylocta-1,6-diene has a molecular weight of 124.23 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-methylocta-1,6-diene is sourced from PubChem (CID 14140905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).