5-butan-2-ylidene-4-methylnonane

C14H28 — CID 123663475

IUPAC5-butan-2-ylidene-4-methylnonane
SMILESCCCCC(=C(C)CC)C(C)CCC
InChIInChI=1S/C14H28/c1-6-9-11-14(12(4)8-3)13(5)10-7-2/h13H,6-11H2,1-5H3
InChIKeyPMJUJHHIASEGCC-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.34
Rot. Bonds7

About 5-butan-2-ylidene-4-methylnonane

5-butan-2-ylidene-4-methylnonane (PubChem CID 123663475) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 5-butan-2-ylidene-4-methylnonane.

Molecular Properties

Compound Name5-butan-2-ylidene-4-methylnonane
PubChem CID123663475
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name5-butan-2-ylidene-4-methylnonane
SMILESCCCCC(=C(C)CC)C(C)CCC
InChIInChI=1S/C14H28/c1-6-9-11-14(12(4)8-3)13(5)10-7-2/h13H,6-11H2,1-5H3
InChIKeyPMJUJHHIASEGCC-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
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

(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
4-methyl-5-methylidenenonane
CID 123995801
2,3,4-trimethyloct-3-ene
CID 123315350
(E)-3-methyl-4-propyloct-3-ene
CID 57107532
5,6,9,10-tetramethyldodec-5-ene
CID 123162006
3,4,8-trimethylnon-3-ene
CID 123973517
7-methyldecane-2,6-dione
CID 14545114
2,3-dimethylhept-2-ene;ethane;2-methylbutane
CID 163368789
2-methyl-3-propan-2-yloctadec-2-ene
CID 174104969
(4R)-4-methylheptan-3-one
CID 12696684
CID 159174397
CID 159174397
(E)-3,4-dimethylicos-3-ene
CID 173263978

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylidene-4-methylnonane?
The IUPAC name of 5-butan-2-ylidene-4-methylnonane (CID 123663475) is 5-butan-2-ylidene-4-methylnonane.
What is the SMILES notation for 5-butan-2-ylidene-4-methylnonane?
The canonical SMILES for 5-butan-2-ylidene-4-methylnonane is CCCCC(=C(C)CC)C(C)CCC.
What is the InChIKey of 5-butan-2-ylidene-4-methylnonane?
The InChIKey is PMJUJHHIASEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-9-11-14(12(4)8-3)13(5)10-7-2/h13H,6-11H2,1-5H3.
What are the key properties of 5-butan-2-ylidene-4-methylnonane?
5-butan-2-ylidene-4-methylnonane has a molecular weight of 196.38 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylidene-4-methylnonane is sourced from PubChem (CID 123663475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).