dodecylidenecyclobutane

C16H30 — CID 176570971

IUPACdodecylidenecyclobutane
SMILESCCCCCCCCCCCC=C1CCC1
InChIInChI=1S/C16H30/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16/h13H,2-12,14-15H2,1H3
InChIKeyUNBZFTOTBLJBCJ-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.02
Rot. Bonds10

About dodecylidenecyclobutane

dodecylidenecyclobutane (PubChem CID 176570971) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is dodecylidenecyclobutane.

Molecular Properties

Compound Namedodecylidenecyclobutane
PubChem CID176570971
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Namedodecylidenecyclobutane
SMILESCCCCCCCCCCCC=C1CCC1
InChIInChI=1S/C16H30/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16/h13H,2-12,14-15H2,1H3
InChIKeyUNBZFTOTBLJBCJ-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.02
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

decylidenecyclobutane
CID 15365573
hexylidenecyclobutane
CID 86127710
heptadecylidenecyclopropane
CID 19760704
(4Z)-4-octylideneazepane
CID 103983605
(4Z)-4-nonylideneazepane
CID 103983668
pentylidenecyclopentadecane
CID 151655236
4-hexylidenepiperidine;hydrochloride
CID 18963728
6-cyclobutylidenehexan-1-ol
CID 14022228
3-hexadecylidenecyclohexan-1-ol
CID 91228547
9-cyclobutylidene-N-ethyl-N-fluorononan-1-amine
CID 135225449
(3E)-3-dodecylidenepyrrolidine
CID 134081400
3-octylidenepyrrolidine
CID 79879694

Frequently Asked Questions

What is the IUPAC name of dodecylidenecyclobutane?
The IUPAC name of dodecylidenecyclobutane (CID 176570971) is dodecylidenecyclobutane.
What is the SMILES notation for dodecylidenecyclobutane?
The canonical SMILES for dodecylidenecyclobutane is CCCCCCCCCCCC=C1CCC1.
What is the InChIKey of dodecylidenecyclobutane?
The InChIKey is UNBZFTOTBLJBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-16/h13H,2-12,14-15H2,1H3.
What are the key properties of dodecylidenecyclobutane?
dodecylidenecyclobutane has a molecular weight of 222.42 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylidenecyclobutane is sourced from PubChem (CID 176570971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).