4-butan-2-yl-2,3-dimethyloct-4-ene

C14H28 — CID 123920720

IUPAC4-butan-2-yl-2,3-dimethyloct-4-ene
SMILESCCCC=C(C(C)CC)C(C)C(C)C
InChIInChI=1S/C14H28/c1-7-9-10-14(12(5)8-2)13(6)11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyILZRHTKTPQVMAV-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.05
Rot. Bonds6

About 4-butan-2-yl-2,3-dimethyloct-4-ene

4-butan-2-yl-2,3-dimethyloct-4-ene (PubChem CID 123920720) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4-butan-2-yl-2,3-dimethyloct-4-ene.

Molecular Properties

Compound Name4-butan-2-yl-2,3-dimethyloct-4-ene
PubChem CID123920720
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4-butan-2-yl-2,3-dimethyloct-4-ene
SMILESCCCC=C(C(C)CC)C(C)C(C)C
InChIInChI=1S/C14H28/c1-7-9-10-14(12(5)8-2)13(6)11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyILZRHTKTPQVMAV-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
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

hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
CID 172808064
(Z)-N-ethyl-3-methyloct-4-en-4-amine
CID 167154983
3-methylhept-3-en-2-amine
CID 130574470
(E)-3-methylhept-3-en-2-amine
CID 163910373
(E)-2-methyl-4-propyloct-4-en-3-ol
CID 102155759
(E,3R)-2-methyl-4-propyloct-4-en-3-ol
CID 11019550
(E)-N-[(2S)-butan-2-yl]-N-methylhex-2-en-2-amine
CID 138725680
2,3,4-trimethyldec-4-ene
CID 123648620
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
N,2,3,5-tetramethylheptan-4-imine
CID 174244077
1-N,1-N'-di(propan-2-yl)pent-1-ene-1,1-diamine
CID 139931013
pent-1-ene-1,1-diol
CID 21473005

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,3-dimethyloct-4-ene?
The IUPAC name of 4-butan-2-yl-2,3-dimethyloct-4-ene (CID 123920720) is 4-butan-2-yl-2,3-dimethyloct-4-ene.
What is the SMILES notation for 4-butan-2-yl-2,3-dimethyloct-4-ene?
The canonical SMILES for 4-butan-2-yl-2,3-dimethyloct-4-ene is CCCC=C(C(C)CC)C(C)C(C)C.
What is the InChIKey of 4-butan-2-yl-2,3-dimethyloct-4-ene?
The InChIKey is ILZRHTKTPQVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-9-10-14(12(5)8-2)13(6)11(3)4/h10-13H,7-9H2,1-6H3.
What are the key properties of 4-butan-2-yl-2,3-dimethyloct-4-ene?
4-butan-2-yl-2,3-dimethyloct-4-ene has a molecular weight of 196.38 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,3-dimethyloct-4-ene is sourced from PubChem (CID 123920720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).