8,8-dimethylundec-2-ene

C13H26 — CID 123615624

IUPAC8,8-dimethylundec-2-ene
SMILESCC=CCCCCC(C)(C)CCC
InChIInChI=1S/C13H26/c1-5-7-8-9-10-12-13(3,4)11-6-2/h5,7H,6,8-12H2,1-4H3
InChIKeyYUGQTHKNRKASGS-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds7

About 8,8-dimethylundec-2-ene

8,8-dimethylundec-2-ene (PubChem CID 123615624) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 8,8-dimethylundec-2-ene.

Molecular Properties

Compound Name8,8-dimethylundec-2-ene
PubChem CID123615624
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name8,8-dimethylundec-2-ene
SMILESCC=CCCCCC(C)(C)CCC
InChIInChI=1S/C13H26/c1-5-7-8-9-10-12-13(3,4)11-6-2/h5,7H,6,8-12H2,1-4H3
InChIKeyYUGQTHKNRKASGS-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

10,10-dimethylhenicos-2-ene
CID 123622091
N-ethyl-N,4,4-trimethyltridec-11-en-1-amine
CID 174325557
(Z)-oct-2-ene
CID 5356796
2-methyldec-8-en-2-ol
CID 173164582
oct-2-ene;hydrochloride
CID 86744102
2,2,7,7-tetramethyldecane
CID 57491596
(Z)-icos-2-ene
CID 5352524
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
pentadeca-2,10-diene
CID 174048350
2-ethyl-2-methyldec-8-enal
CID 54065132
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylundec-2-ene?
The IUPAC name of 8,8-dimethylundec-2-ene (CID 123615624) is 8,8-dimethylundec-2-ene.
What is the SMILES notation for 8,8-dimethylundec-2-ene?
The canonical SMILES for 8,8-dimethylundec-2-ene is CC=CCCCCC(C)(C)CCC.
What is the InChIKey of 8,8-dimethylundec-2-ene?
The InChIKey is YUGQTHKNRKASGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-7-8-9-10-12-13(3,4)11-6-2/h5,7H,6,8-12H2,1-4H3.
What are the key properties of 8,8-dimethylundec-2-ene?
8,8-dimethylundec-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethylundec-2-ene is sourced from PubChem (CID 123615624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).