pentylidenecyclopropane

C8H14 — CID 13252931

IUPACpentylidenecyclopropane
SMILESCCCCC=C1CC1
InChIInChI=1S/C8H14/c1-2-3-4-5-8-6-7-8/h5H,2-4,6-7H2,1H3
InChIKeyDKBWEDORUCWMRN-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.90
Rot. Bonds3

About pentylidenecyclopropane

pentylidenecyclopropane (PubChem CID 13252931) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is pentylidenecyclopropane.

Molecular Properties

Compound Namepentylidenecyclopropane
PubChem CID13252931
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Namepentylidenecyclopropane
SMILESCCCCC=C1CC1
InChIInChI=1S/C8H14/c1-2-3-4-5-8-6-7-8/h5H,2-4,6-7H2,1H3
InChIKeyDKBWEDORUCWMRN-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of pentylidenecyclopropane?
The IUPAC name of pentylidenecyclopropane (CID 13252931) is pentylidenecyclopropane.
What is the SMILES notation for pentylidenecyclopropane?
The canonical SMILES for pentylidenecyclopropane is CCCCC=C1CC1.
What is the InChIKey of pentylidenecyclopropane?
The InChIKey is DKBWEDORUCWMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-2-3-4-5-8-6-7-8/h5H,2-4,6-7H2,1H3.
What are the key properties of pentylidenecyclopropane?
pentylidenecyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentylidenecyclopropane is sourced from PubChem (CID 13252931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).