4-ethyl-4,7,7-trimethylnon-1-ene

C14H28 — CID 123137671

IUPAC4-ethyl-4,7,7-trimethylnon-1-ene
SMILESC=CCC(C)(CC)CCC(C)(C)CC
InChIInChI=1S/C14H28/c1-7-10-14(6,9-3)12-11-13(4,5)8-2/h7H,1,8-12H2,2-6H3
InChIKeyNJTJOWCZUKFNJS-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds7

About 4-ethyl-4,7,7-trimethylnon-1-ene

4-ethyl-4,7,7-trimethylnon-1-ene (PubChem CID 123137671) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4-ethyl-4,7,7-trimethylnon-1-ene.

Molecular Properties

Compound Name4-ethyl-4,7,7-trimethylnon-1-ene
PubChem CID123137671
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4-ethyl-4,7,7-trimethylnon-1-ene
SMILESC=CCC(C)(CC)CCC(C)(C)CC
InChIInChI=1S/C14H28/c1-7-10-14(6,9-3)12-11-13(4,5)8-2/h7H,1,8-12H2,2-6H3
InChIKeyNJTJOWCZUKFNJS-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
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

4-ethyl-4,8-dimethylnon-1-ene
CID 23657619
4-methyl-4-propylhept-1-ene
CID 139926982
4-ethyl-2,2,4-trimethylhept-6-en-1-ol
CID 91612819
5-ethyl-5,8,8-trimethyldecanal
CID 123353165
2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine
CID 142811014
(5S)-3,5-diethyl-5-methyloct-7-en-2-amine
CID 88958075
2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
CID 173037524
2-ethyl-N-(1-methoxyethyl)-2-methylpent-4-en-1-amine
CID 139312912
3,3-dimethylhexane
CID 11233
N-ethenyl-N,3,3-trimethylpentan-1-amine
CID 167016680
5-ethyl-5,7,7-trimethylnon-2-ene
CID 123630849
N,2-dimethyl-2-prop-2-enylpent-4-en-1-amine
CID 153496767

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,7,7-trimethylnon-1-ene?
The IUPAC name of 4-ethyl-4,7,7-trimethylnon-1-ene (CID 123137671) is 4-ethyl-4,7,7-trimethylnon-1-ene.
What is the SMILES notation for 4-ethyl-4,7,7-trimethylnon-1-ene?
The canonical SMILES for 4-ethyl-4,7,7-trimethylnon-1-ene is C=CCC(C)(CC)CCC(C)(C)CC.
What is the InChIKey of 4-ethyl-4,7,7-trimethylnon-1-ene?
The InChIKey is NJTJOWCZUKFNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-10-14(6,9-3)12-11-13(4,5)8-2/h7H,1,8-12H2,2-6H3.
What are the key properties of 4-ethyl-4,7,7-trimethylnon-1-ene?
4-ethyl-4,7,7-trimethylnon-1-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,7,7-trimethylnon-1-ene is sourced from PubChem (CID 123137671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).