3,5,8-trimethylnona-1,7-diene

C12H22 — CID 123488814

IUPAC3,5,8-trimethylnona-1,7-diene
SMILESC=CC(C)CC(C)CC=C(C)C
InChIInChI=1S/C12H22/c1-6-11(4)9-12(5)8-7-10(2)3/h6-7,11-12H,1,8-9H2,2-5H3
InChIKeyNDSONXFTRBGZLX-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds5

About 3,5,8-trimethylnona-1,7-diene

3,5,8-trimethylnona-1,7-diene (PubChem CID 123488814) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3,5,8-trimethylnona-1,7-diene.

Molecular Properties

Compound Name3,5,8-trimethylnona-1,7-diene
PubChem CID123488814
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3,5,8-trimethylnona-1,7-diene
SMILESC=CC(C)CC(C)CC=C(C)C
InChIInChI=1S/C12H22/c1-6-11(4)9-12(5)8-7-10(2)3/h6-7,11-12H,1,8-9H2,2-5H3
InChIKeyNDSONXFTRBGZLX-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
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

2,5-dimethylhept-2-ene;ethane
CID 144650208
(4R,6S)-4,6-dimethyloct-7-en-2-one
CID 59788969
2,6-dimethylocta-2,7-dien-4-ol
CID 15596211
2,6-dimethylocta-1,3,7-triene
CID 522318
3,5,8-trimethylnon-1-ene
CID 123935828
N-but-3-en-2-yl-2,6-dimethylhept-5-en-3-amine
CID 123604365
(5R)-5,9-dimethyldeca-1,8-dien-3-ol
CID 10986927
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
(2E)-N,5-dimethylhepta-2,6-dien-2-amine
CID 166992213
(3S,5R)-3,5-dimethylhept-6-en-2-one
CID 131859012
N,N-diethyl-6-methylhepta-1,5-dien-3-amine
CID 142113031
(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol
CID 135000910

Frequently Asked Questions

What is the IUPAC name of 3,5,8-trimethylnona-1,7-diene?
The IUPAC name of 3,5,8-trimethylnona-1,7-diene (CID 123488814) is 3,5,8-trimethylnona-1,7-diene.
What is the SMILES notation for 3,5,8-trimethylnona-1,7-diene?
The canonical SMILES for 3,5,8-trimethylnona-1,7-diene is C=CC(C)CC(C)CC=C(C)C.
What is the InChIKey of 3,5,8-trimethylnona-1,7-diene?
The InChIKey is NDSONXFTRBGZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-6-11(4)9-12(5)8-7-10(2)3/h6-7,11-12H,1,8-9H2,2-5H3.
What are the key properties of 3,5,8-trimethylnona-1,7-diene?
3,5,8-trimethylnona-1,7-diene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trimethylnona-1,7-diene is sourced from PubChem (CID 123488814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).