cyclopentane;hept-1-ene

C12H24 — CID 159296541

IUPACcyclopentane;hept-1-ene
SMILESC1CCCC1.C=CCCCCC
InChIInChI=1S/C7H14.C5H10/c1-3-5-7-6-4-2;1-2-4-5-3-1/h3H,1,4-7H2,2H3;1-5H2
InChIKeyLAUICLQGTZFODZ-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.70
Rot. Bonds4

About cyclopentane;hept-1-ene

cyclopentane;hept-1-ene (PubChem CID 159296541) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is cyclopentane;hept-1-ene.

Molecular Properties

Compound Namecyclopentane;hept-1-ene
PubChem CID159296541
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Namecyclopentane;hept-1-ene
SMILESC1CCCC1.C=CCCCCC
InChIInChI=1S/C7H14.C5H10/c1-3-5-7-6-4-2;1-2-4-5-3-1/h3H,1,4-7H2,2H3;1-5H2
InChIKeyLAUICLQGTZFODZ-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.70
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

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
hept-1-ene;polane
CID 173465915
oct-1-ene;tetrahydrochloride
CID 172847494
dec-1-ene;ethene
CID 161044144
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
tetrakis(but-1-ene);oct-1-ene
CID 158942238

Frequently Asked Questions

What is the IUPAC name of cyclopentane;hept-1-ene?
The IUPAC name of cyclopentane;hept-1-ene (CID 159296541) is cyclopentane;hept-1-ene.
What is the SMILES notation for cyclopentane;hept-1-ene?
The canonical SMILES for cyclopentane;hept-1-ene is C1CCCC1.C=CCCCCC.
What is the InChIKey of cyclopentane;hept-1-ene?
The InChIKey is LAUICLQGTZFODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C5H10/c1-3-5-7-6-4-2;1-2-4-5-3-1/h3H,1,4-7H2,2H3;1-5H2.
What are the key properties of cyclopentane;hept-1-ene?
cyclopentane;hept-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;hept-1-ene is sourced from PubChem (CID 159296541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).