4-methylundeca-2,6-diene

C12H22 — CID 173179145

IUPAC4-methylundeca-2,6-diene
SMILESCC=CC(C)CC=CCCCC
InChIInChI=1S/C12H22/c1-4-6-7-8-9-11-12(3)10-5-2/h5,8-10,12H,4,6-7,11H2,1-3H3
InChIKeyKFIVRRWSTWEKBG-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds6

About 4-methylundeca-2,6-diene

4-methylundeca-2,6-diene (PubChem CID 173179145) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-methylundeca-2,6-diene.

Molecular Properties

Compound Name4-methylundeca-2,6-diene
PubChem CID173179145
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-methylundeca-2,6-diene
SMILESCC=CC(C)CC=CCCCC
InChIInChI=1S/C12H22/c1-4-6-7-8-9-11-12(3)10-5-2/h5,8-10,12H,4,6-7,11H2,1-3H3
InChIKeyKFIVRRWSTWEKBG-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
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

(2E,6E)-4,8-dimethyldeca-2,6-diene
CID 173250236
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218
(E,2R)-non-4-en-2-ol
CID 131232400
4,8-dimethylnona-2,6-diene
CID 54128177
4-methyloct-2-ene
CID 528286
2-methyldodeca-4,7-diene
CID 123659021
(4E,8E)-7-methyldeca-1,4,8-triene
CID 20695287
(2E,7E)-dodeca-2,7-diene
CID 173295735
(E)-3-methylnon-4-ene
CID 13082837
(E)-2-methyldec-4-ene
CID 5364887
8-ethyldodec-5-ene
CID 173018114
(1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene
CID 59372903

Frequently Asked Questions

What is the IUPAC name of 4-methylundeca-2,6-diene?
The IUPAC name of 4-methylundeca-2,6-diene (CID 173179145) is 4-methylundeca-2,6-diene.
What is the SMILES notation for 4-methylundeca-2,6-diene?
The canonical SMILES for 4-methylundeca-2,6-diene is CC=CC(C)CC=CCCCC.
What is the InChIKey of 4-methylundeca-2,6-diene?
The InChIKey is KFIVRRWSTWEKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-7-8-9-11-12(3)10-5-2/h5,8-10,12H,4,6-7,11H2,1-3H3.
What are the key properties of 4-methylundeca-2,6-diene?
4-methylundeca-2,6-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylundeca-2,6-diene is sourced from PubChem (CID 173179145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).