3,3-diethyl-5-methylnona-1,8-diene

C14H26 — CID 123790620

IUPAC3,3-diethyl-5-methylnona-1,8-diene
SMILESC=CCCC(C)CC(C=C)(CC)CC
InChIInChI=1S/C14H26/c1-6-10-11-13(5)12-14(7-2,8-3)9-4/h6-7,13H,1-2,8-12H2,3-5H3
InChIKeyJSWUVUYSPAMLGT-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.97
Rot. Bonds8

About 3,3-diethyl-5-methylnona-1,8-diene

3,3-diethyl-5-methylnona-1,8-diene (PubChem CID 123790620) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3,3-diethyl-5-methylnona-1,8-diene.

Molecular Properties

Compound Name3,3-diethyl-5-methylnona-1,8-diene
PubChem CID123790620
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3,3-diethyl-5-methylnona-1,8-diene
SMILESC=CCCC(C)CC(C=C)(CC)CC
InChIInChI=1S/C14H26/c1-6-10-11-13(5)12-14(7-2,8-3)9-4/h6-7,13H,1-2,8-12H2,3-5H3
InChIKeyJSWUVUYSPAMLGT-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,3-diethyl-5-methylnona-1,8-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;ethane;5-methylhept-1-ene
CID 143370195
ethane;4-methylocta-1,7-diene
CID 144616064
(5S)-6-iodo-5-methylhex-1-ene
CID 14470371
3-ethyl-4-methylocta-1,7-diene-3-thiol
CID 146608566
6,8,8-trimethylnon-1-ene
CID 55273877
5-methylheptadec-1-ene
CID 172780073
5-methylicos-1-ene
CID 145462707
(3S,5R)-5-methylnon-8-en-3-ol
CID 129386423
5,9,10-trimethyldodec-1-ene
CID 123401596
2,6-dimethyldec-9-en-2-ol
CID 154162071
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
2-methyl-N,N-dipropylhex-5-en-1-amine
CID 143366711

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-methylnona-1,8-diene?
The IUPAC name of 3,3-diethyl-5-methylnona-1,8-diene (CID 123790620) is 3,3-diethyl-5-methylnona-1,8-diene.
What is the SMILES notation for 3,3-diethyl-5-methylnona-1,8-diene?
The canonical SMILES for 3,3-diethyl-5-methylnona-1,8-diene is C=CCCC(C)CC(C=C)(CC)CC.
What is the InChIKey of 3,3-diethyl-5-methylnona-1,8-diene?
The InChIKey is JSWUVUYSPAMLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-6-10-11-13(5)12-14(7-2,8-3)9-4/h6-7,13H,1-2,8-12H2,3-5H3.
What are the key properties of 3,3-diethyl-5-methylnona-1,8-diene?
3,3-diethyl-5-methylnona-1,8-diene has a molecular weight of 194.36 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-methylnona-1,8-diene is sourced from PubChem (CID 123790620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).