2-methylundeca-1,6-diene

C12H22 — CID 173154459

IUPAC2-methylundeca-1,6-diene
SMILESC=C(C)CCCC=CCCCC
InChIInChI=1S/C12H22/c1-4-5-6-7-8-9-10-11-12(2)3/h7-8H,2,4-6,9-11H2,1,3H3
InChIKeyIWWPHNNUIQLIJB-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds7

About 2-methylundeca-1,6-diene

2-methylundeca-1,6-diene (PubChem CID 173154459) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-methylundeca-1,6-diene.

Molecular Properties

Compound Name2-methylundeca-1,6-diene
PubChem CID173154459
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-methylundeca-1,6-diene
SMILESC=C(C)CCCC=CCCCC
InChIInChI=1S/C12H22/c1-4-5-6-7-8-9-10-11-12(2)3/h7-8H,2,4-6,9-11H2,1,3H3
InChIKeyIWWPHNNUIQLIJB-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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-methylhex-1-ene
CID 158402499
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
(7E)-2-methylnona-1,7-diene
CID 23197153
(6E)-2,7-dimethyldeca-1,6-diene
CID 173073155
dec-5-ene;trihydrobromide
CID 175802238
ethane;2-methyloct-1-ene
CID 143077596
dec-5-en-2-one
CID 71363330
2-methylprop-2-enoic acid;oct-3-ene
CID 155128147
dodec-7-en-2-one
CID 123882998
pentadeca-5,10-dienoic acid
CID 535083
hept-2-ene;methanol
CID 135236025

Frequently Asked Questions

What is the IUPAC name of 2-methylundeca-1,6-diene?
The IUPAC name of 2-methylundeca-1,6-diene (CID 173154459) is 2-methylundeca-1,6-diene.
What is the SMILES notation for 2-methylundeca-1,6-diene?
The canonical SMILES for 2-methylundeca-1,6-diene is C=C(C)CCCC=CCCCC.
What is the InChIKey of 2-methylundeca-1,6-diene?
The InChIKey is IWWPHNNUIQLIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-5-6-7-8-9-10-11-12(2)3/h7-8H,2,4-6,9-11H2,1,3H3.
What are the key properties of 2-methylundeca-1,6-diene?
2-methylundeca-1,6-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylundeca-1,6-diene is sourced from PubChem (CID 173154459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).