4-ethenyl-2,3,7-trimethylnonane

C14H28 — CID 91411047

IUPAC4-ethenyl-2,3,7-trimethylnonane
SMILESC=CC(CCC(C)CC)C(C)C(C)C
InChIInChI=1S/C14H28/c1-7-12(5)9-10-14(8-2)13(6)11(3)4/h8,11-14H,2,7,9-10H2,1,3-6H3
InChIKeyQJNKMCWBVNZMAZ-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.91
Rot. Bonds7

About 4-ethenyl-2,3,7-trimethylnonane

4-ethenyl-2,3,7-trimethylnonane (PubChem CID 91411047) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4-ethenyl-2,3,7-trimethylnonane.

Molecular Properties

Compound Name4-ethenyl-2,3,7-trimethylnonane
PubChem CID91411047
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4-ethenyl-2,3,7-trimethylnonane
SMILESC=CC(CCC(C)CC)C(C)C(C)C
InChIInChI=1S/C14H28/c1-7-12(5)9-10-14(8-2)13(6)11(3)4/h8,11-14H,2,7,9-10H2,1,3-6H3
InChIKeyQJNKMCWBVNZMAZ-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.91
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

3,6,7,10-tetramethyldodec-1-ene
CID 143243689
(3S,7R)-2,3,7-trimethylnonan-4-amine
CID 174014223
4-ethenyl-2,3,5-trimethyloctane
CID 123741658
3,4-diethyl-5-methylhex-1-ene
CID 22107333
6,9-dimethylundec-3-ene
CID 90927797
prop-1-ene;3,6,7-trimethylundecane
CID 145154511
3,5,7,10,12-pentamethyltetradecane
CID 59582352
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
2,5-dimethylheptane;propane
CID 145235091
(3R,6R)-3,6-dimethylnonane
CID 170848352
3,3,6-trimethyloct-1-ene
CID 123906537
butane;ethane;5-methylhept-1-ene
CID 143370195

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3,7-trimethylnonane?
The IUPAC name of 4-ethenyl-2,3,7-trimethylnonane (CID 91411047) is 4-ethenyl-2,3,7-trimethylnonane.
What is the SMILES notation for 4-ethenyl-2,3,7-trimethylnonane?
The canonical SMILES for 4-ethenyl-2,3,7-trimethylnonane is C=CC(CCC(C)CC)C(C)C(C)C.
What is the InChIKey of 4-ethenyl-2,3,7-trimethylnonane?
The InChIKey is QJNKMCWBVNZMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-12(5)9-10-14(8-2)13(6)11(3)4/h8,11-14H,2,7,9-10H2,1,3-6H3.
What are the key properties of 4-ethenyl-2,3,7-trimethylnonane?
4-ethenyl-2,3,7-trimethylnonane has a molecular weight of 196.38 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3,7-trimethylnonane is sourced from PubChem (CID 91411047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).