5-ethyl-5,7,7-trimethylnon-2-ene

C14H28 — CID 123630849

IUPAC5-ethyl-5,7,7-trimethylnon-2-ene
SMILESCC=CCC(C)(CC)CC(C)(C)CC
InChIInChI=1S/C14H28/c1-7-10-11-14(6,9-3)12-13(4,5)8-2/h7,10H,8-9,11-12H2,1-6H3
InChIKeyQLRLNULQWRLKFU-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds6

About 5-ethyl-5,7,7-trimethylnon-2-ene

5-ethyl-5,7,7-trimethylnon-2-ene (PubChem CID 123630849) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 5-ethyl-5,7,7-trimethylnon-2-ene.

Molecular Properties

Compound Name5-ethyl-5,7,7-trimethylnon-2-ene
PubChem CID123630849
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name5-ethyl-5,7,7-trimethylnon-2-ene
SMILESCC=CCC(C)(CC)CC(C)(C)CC
InChIInChI=1S/C14H28/c1-7-10-11-14(6,9-3)12-13(4,5)8-2/h7,10H,8-9,11-12H2,1-6H3
InChIKeyQLRLNULQWRLKFU-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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

(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
beta-Humulene
CID 5318102
3,5,5-Trimethylcyclohexene
CID 79132
4-Tert-butylcyclohex-1-ene
CID 16688
Cyclohexene, trimethyl-
CID 79032
Cyclohexene, 1,5,5-trimethyl-6-methylene-
CID 578237
(1E,6E)-gamma-humulene
CID 6365330
(1Z,6E)-gamma-humulene
CID 14038477
3,3,5-Trimethylcyclohexene
CID 79031
3-Propyl-1-cyclopentene
CID 36671
1,3,3-Trimethylcyclohexene
CID 3013896
20-Methyl-21,22-didehydro-20,21-dihydrobotryococcene
CID 70679219

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5,7,7-trimethylnon-2-ene?
The IUPAC name of 5-ethyl-5,7,7-trimethylnon-2-ene (CID 123630849) is 5-ethyl-5,7,7-trimethylnon-2-ene.
What is the SMILES notation for 5-ethyl-5,7,7-trimethylnon-2-ene?
The canonical SMILES for 5-ethyl-5,7,7-trimethylnon-2-ene is CC=CCC(C)(CC)CC(C)(C)CC.
What is the InChIKey of 5-ethyl-5,7,7-trimethylnon-2-ene?
The InChIKey is QLRLNULQWRLKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-10-11-14(6,9-3)12-13(4,5)8-2/h7,10H,8-9,11-12H2,1-6H3.
What are the key properties of 5-ethyl-5,7,7-trimethylnon-2-ene?
5-ethyl-5,7,7-trimethylnon-2-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5,7,7-trimethylnon-2-ene is sourced from PubChem (CID 123630849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).