2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene

C14H28 — CID 158024808

IUPAC2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
SMILESC=C(C)C(C)CC.C=CC(C)(C)CC
InChIInChI=1S/2C7H14/c1-5-7(3,4)6-2;1-5-7(4)6(2)3/h5H,1,6H2,2-4H3;7H,2,5H2,1,3-4H3
InChIKeyFGLYVYHLOBNFLN-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.22
Rot. Bonds4

About 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene

2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene (PubChem CID 158024808) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene.

Molecular Properties

Compound Name2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
PubChem CID158024808
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
SMILESC=C(C)C(C)CC.C=CC(C)(C)CC
InChIInChI=1S/2C7H14/c1-5-7(3,4)6-2;1-5-7(4)6(2)3/h5H,1,6H2,2-4H3;7H,2,5H2,1,3-4H3
InChIKeyFGLYVYHLOBNFLN-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.22
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

2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene
CID 159832384
2,3-dimethylpent-1-ene;ethane
CID 143286891
3,3-dimethylpent-1-ene;ethane
CID 142059460
but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
CID 142056608
3-ethyl-2,3,5-trimethyl-4-methylideneheptane
CID 123873346
(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne
CID 159199153
2,3,7,7-tetramethylocta-1,5-diene
CID 54573409
ethane;propane;2,3,5-trimethylhept-1-ene;3,3,4-trimethylhexane
CID 155580213
3,3,6-trimethyloct-1-ene
CID 123906537
3-ethyl-2,3-dimethylpenta-1,4-diene
CID 123241142
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
2,2,4-trimethyl-3-methylidene-1-methylsulfanylhexane
CID 137446349

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene?
The IUPAC name of 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene (CID 158024808) is 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene.
What is the SMILES notation for 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene?
The canonical SMILES for 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene is C=C(C)C(C)CC.C=CC(C)(C)CC.
What is the InChIKey of 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene?
The InChIKey is FGLYVYHLOBNFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14/c1-5-7(3,4)6-2;1-5-7(4)6(2)3/h5H,1,6H2,2-4H3;7H,2,5H2,1,3-4H3.
What are the key properties of 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene?
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene has a molecular weight of 196.38 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene is sourced from PubChem (CID 158024808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).