2,3,6,6,8-pentamethylnona-1,3-diene

C14H26 — CID 173422960

IUPAC2,3,6,6,8-pentamethylnona-1,3-diene
SMILESC=C(C)C(C)=CCC(C)(C)CC(C)C
InChIInChI=1S/C14H26/c1-11(2)10-14(6,7)9-8-13(5)12(3)4/h8,11H,3,9-10H2,1-2,4-7H3
InChIKeyJWVIVQBGLOZJAD-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.97
Rot. Bonds5

About 2,3,6,6,8-pentamethylnona-1,3-diene

2,3,6,6,8-pentamethylnona-1,3-diene (PubChem CID 173422960) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2,3,6,6,8-pentamethylnona-1,3-diene.

Molecular Properties

Compound Name2,3,6,6,8-pentamethylnona-1,3-diene
PubChem CID173422960
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2,3,6,6,8-pentamethylnona-1,3-diene
SMILESC=C(C)C(C)=CCC(C)(C)CC(C)C
InChIInChI=1S/C14H26/c1-11(2)10-14(6,7)9-8-13(5)12(3)4/h8,11H,3,9-10H2,1-2,4-7H3
InChIKeyJWVIVQBGLOZJAD-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,5,5,8-tetramethylnon-2-ene
CID 174643614
2,4,4,7-tetramethyloct-6-enal
CID 88919833
(3E)-6-methoxy-2,3-dimethylhepta-1,3-diene
CID 89349918
but-1-ene;(4E)-5,6-dimethylhepta-4,6-dien-2-ol
CID 142868240
N,2,3,5-tetramethylhex-1-en-3-amine
CID 145459667
2,3,5-trimethylhexa-1,3-diene
CID 572950
(2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene
CID 153404272
2,4,6,8-tetramethyl-6-(2-methylpropyl)non-1-ene
CID 21361186
1-iodo-2,2,4-trimethylpentane-1,1-diol;bis(2-methylprop-2-enoic acid)
CID 139298704
3,3,5,5,7-pentamethyloctan-1-ol
CID 121365228
7,7,9-trimethyldecan-5-ol
CID 139968477
6-chloro-4,4-dimethylhept-1-ene
CID 64716425

Frequently Asked Questions

What is the IUPAC name of 2,3,6,6,8-pentamethylnona-1,3-diene?
The IUPAC name of 2,3,6,6,8-pentamethylnona-1,3-diene (CID 173422960) is 2,3,6,6,8-pentamethylnona-1,3-diene.
What is the SMILES notation for 2,3,6,6,8-pentamethylnona-1,3-diene?
The canonical SMILES for 2,3,6,6,8-pentamethylnona-1,3-diene is C=C(C)C(C)=CCC(C)(C)CC(C)C.
What is the InChIKey of 2,3,6,6,8-pentamethylnona-1,3-diene?
The InChIKey is JWVIVQBGLOZJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-11(2)10-14(6,7)9-8-13(5)12(3)4/h8,11H,3,9-10H2,1-2,4-7H3.
What are the key properties of 2,3,6,6,8-pentamethylnona-1,3-diene?
2,3,6,6,8-pentamethylnona-1,3-diene has a molecular weight of 194.36 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,6,8-pentamethylnona-1,3-diene is sourced from PubChem (CID 173422960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).