2-[3-(cyclopentylidenemethoxy)propyl]oxocane

C16H28O2 — CID 176605202

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]oxocane
SMILESC(OCCCC1CCCCCCO1)=C1CCCC1
InChIInChI=1S/C16H28O2/c1-2-6-13-18-16(10-3-1)11-7-12-17-14-15-8-4-5-9-15/h14,16H,1-13H2
InChIKeyMFEKBDAZGBNODW-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.59
Rot. Bonds5

About 2-[3-(cyclopentylidenemethoxy)propyl]oxocane

2-[3-(cyclopentylidenemethoxy)propyl]oxocane (PubChem CID 176605202) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]oxocane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]oxocane
PubChem CID176605202
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]oxocane
SMILESC(OCCCC1CCCCCCO1)=C1CCCC1
InChIInChI=1S/C16H28O2/c1-2-6-13-18-16(10-3-1)11-7-12-17-14-15-8-4-5-9-15/h14,16H,1-13H2
InChIKeyMFEKBDAZGBNODW-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(Cyclohexylidenemethoxy)propyl]oxocane
CID 176603505
2-[1-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176603756
2-(Cyclopentylidenemethoxymethyl)oxocane
CID 176604000
2-[3-(Cyclopentylidenemethoxy)propyl]oxolane
CID 176604433
2-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604570
3-(Cyclopentylidenemethoxy)oxocane
CID 176605259

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]oxocane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]oxocane (CID 176605202) is 2-[3-(cyclopentylidenemethoxy)propyl]oxocane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]oxocane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]oxocane is C(OCCCC1CCCCCCO1)=C1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]oxocane?
The InChIKey is MFEKBDAZGBNODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-6-13-18-16(10-3-1)11-7-12-17-14-15-8-4-5-9-15/h14,16H,1-13H2.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]oxocane?
2-[3-(cyclopentylidenemethoxy)propyl]oxocane has a molecular weight of 252.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]oxocane is sourced from PubChem (CID 176605202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).