3,9-dimethylundeca-1,6-diene

C13H24 — CID 173245384

IUPAC3,9-dimethylundeca-1,6-diene
SMILESC=CC(C)CCC=CCC(C)CC
InChIInChI=1S/C13H24/c1-5-12(3)10-8-7-9-11-13(4)6-2/h5,7,9,12-13H,1,6,8,10-11H2,2-4H3
InChIKeyQYHNWKDCEIVRDV-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.58
Rot. Bonds7

About 3,9-dimethylundeca-1,6-diene

3,9-dimethylundeca-1,6-diene (PubChem CID 173245384) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3,9-dimethylundeca-1,6-diene.

Molecular Properties

Compound Name3,9-dimethylundeca-1,6-diene
PubChem CID173245384
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3,9-dimethylundeca-1,6-diene
SMILESC=CC(C)CCC=CCC(C)CC
InChIInChI=1S/C13H24/c1-5-12(3)10-8-7-9-11-13(4)6-2/h5,7,9,12-13H,1,6,8,10-11H2,2-4H3
InChIKeyQYHNWKDCEIVRDV-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.58
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
(6E)-3-methylocta-1,6-diene
CID 14140905
(5Z)-3-methylnona-1,5-diene
CID 145064168
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
(3S)-3-methylhepta-1,6-diene
CID 145257056
(E)-3-methylnonadec-5-ene
CID 145095642
sodium;hydride;4-methylhex-1-ene
CID 173048656
7-methylnon-4-enenitrile
CID 123692329
3-methyltrideca-1,7-diene
CID 173000004
2,9-dimethylundec-5-ene
CID 123952487
(3E)-N,7-dimethylnona-3,8-dien-2-amine
CID 163884829
ethane;2-methylbut-1-ene;(3S)-3-methylhepta-1,6-diene
CID 176715177

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethylundeca-1,6-diene?
The IUPAC name of 3,9-dimethylundeca-1,6-diene (CID 173245384) is 3,9-dimethylundeca-1,6-diene.
What is the SMILES notation for 3,9-dimethylundeca-1,6-diene?
The canonical SMILES for 3,9-dimethylundeca-1,6-diene is C=CC(C)CCC=CCC(C)CC.
What is the InChIKey of 3,9-dimethylundeca-1,6-diene?
The InChIKey is QYHNWKDCEIVRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-12(3)10-8-7-9-11-13(4)6-2/h5,7,9,12-13H,1,6,8,10-11H2,2-4H3.
What are the key properties of 3,9-dimethylundeca-1,6-diene?
3,9-dimethylundeca-1,6-diene has a molecular weight of 180.33 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethylundeca-1,6-diene is sourced from PubChem (CID 173245384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).