8,8-dimethyl-4-propylnon-2-ene

C14H28 — CID 123470479

IUPAC8,8-dimethyl-4-propylnon-2-ene
SMILESCC=CC(CCC)CCCC(C)(C)C
InChIInChI=1S/C14H28/c1-6-9-13(10-7-2)11-8-12-14(3,4)5/h6,9,13H,7-8,10-12H2,1-5H3
InChIKeyMLQULVQMVNPYSZ-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds6

About 8,8-dimethyl-4-propylnon-2-ene

8,8-dimethyl-4-propylnon-2-ene (PubChem CID 123470479) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 8,8-dimethyl-4-propylnon-2-ene.

Molecular Properties

Compound Name8,8-dimethyl-4-propylnon-2-ene
PubChem CID123470479
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name8,8-dimethyl-4-propylnon-2-ene
SMILESCC=CC(CCC)CCCC(C)(C)C
InChIInChI=1S/C14H28/c1-6-9-13(10-7-2)11-8-12-14(3,4)5/h6,9,13H,7-8,10-12H2,1-5H3
InChIKeyMLQULVQMVNPYSZ-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'}

Analyze 8,8-dimethyl-4-propylnon-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(E)-prop-1-enyl]undecane
CID 134941128
4-ethylhept-2-ene
CID 54449444
5-prop-1-enyltridecane
CID 57064303
2-prop-1-enylhexan-1-ol
CID 57263629
4-(iodomethyl)hept-2-ene
CID 174856864
3-propylhex-4-enal
CID 71411188
9,9-dimethyldecan-4-ol
CID 18798749
2,2,6,7-tetramethylundecane
CID 123602815
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
CID 143978428
4,7,10,10-tetramethylundec-5-ene
CID 123457792
2,2-dimethylhexane
CID 169424592

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4-propylnon-2-ene?
The IUPAC name of 8,8-dimethyl-4-propylnon-2-ene (CID 123470479) is 8,8-dimethyl-4-propylnon-2-ene.
What is the SMILES notation for 8,8-dimethyl-4-propylnon-2-ene?
The canonical SMILES for 8,8-dimethyl-4-propylnon-2-ene is CC=CC(CCC)CCCC(C)(C)C.
What is the InChIKey of 8,8-dimethyl-4-propylnon-2-ene?
The InChIKey is MLQULVQMVNPYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-9-13(10-7-2)11-8-12-14(3,4)5/h6,9,13H,7-8,10-12H2,1-5H3.
What are the key properties of 8,8-dimethyl-4-propylnon-2-ene?
8,8-dimethyl-4-propylnon-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 8,8-dimethyl-4-propylnon-2-ene is sourced from PubChem (CID 123470479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).