(6E)-2,7-dimethyldeca-1,6-diene

C12H22 — CID 173073155

IUPAC(6E)-2,7-dimethyldeca-1,6-diene
SMILESC=C(C)CCC/C=C(\C)CCC
InChIInChI=1S/C12H22/c1-5-8-12(4)10-7-6-9-11(2)3/h10H,2,5-9H2,1,3-4H3/b12-10+
InChIKeyVMAKYCHECKNSOC-ZRDIBKRKSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds6

About (6E)-2,7-dimethyldeca-1,6-diene

(6E)-2,7-dimethyldeca-1,6-diene (PubChem CID 173073155) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (6E)-2,7-dimethyldeca-1,6-diene.

Molecular Properties

Compound Name(6E)-2,7-dimethyldeca-1,6-diene
PubChem CID173073155
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(6E)-2,7-dimethyldeca-1,6-diene
SMILESC=C(C)CCC/C=C(\C)CCC
InChIInChI=1S/C12H22/c1-5-8-12(4)10-7-6-9-11(2)3/h10H,2,5-9H2,1,3-4H3/b12-10+
InChIKeyVMAKYCHECKNSOC-ZRDIBKRKSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
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

2,8-dimethyldodeca-1,8-diene
CID 91581739
2,7-dimethylocta-2,7-dien-1-amine
CID 550648
4-methylhexadec-4-ene
CID 174447790
(6E)-2,6-dimethyldeca-2,6-diene;2-methylhex-1-ene;2-methylhex-2-ene
CID 162079708
(5E,9E)-2,5,9-trimethyltrideca-1,5,9-triene
CID 145317472
2-methylundeca-1,6-diene
CID 173154459
(4E)-5,9-dimethyldeca-4,9-dienal
CID 6437671
2-methylhex-1-ene
CID 158402499
2,6-dimethylocta-1,5-diene
CID 54025904
2-[[(2E)-2,7-dimethylocta-2,7-dienyl]amino]ethanol
CID 132936784
6-methylnon-5-en-1-imine
CID 90789693
butyl (E)-6-methylnon-5-enoate
CID 88848772

Frequently Asked Questions

What is the IUPAC name of (6E)-2,7-dimethyldeca-1,6-diene?
The IUPAC name of (6E)-2,7-dimethyldeca-1,6-diene (CID 173073155) is (6E)-2,7-dimethyldeca-1,6-diene.
What is the SMILES notation for (6E)-2,7-dimethyldeca-1,6-diene?
The canonical SMILES for (6E)-2,7-dimethyldeca-1,6-diene is C=C(C)CCC/C=C(\C)CCC.
What is the InChIKey of (6E)-2,7-dimethyldeca-1,6-diene?
The InChIKey is VMAKYCHECKNSOC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H22/c1-5-8-12(4)10-7-6-9-11(2)3/h10H,2,5-9H2,1,3-4H3/b12-10+.
What are the key properties of (6E)-2,7-dimethyldeca-1,6-diene?
(6E)-2,7-dimethyldeca-1,6-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,7-dimethyldeca-1,6-diene is sourced from PubChem (CID 173073155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).