2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane

C15H24O2 — CID 176604134

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane
SMILESC(OCCCC1CC2CCC1O2)=C1CCCC1
InChIInChI=1S/C15H24O2/c1-2-5-12(4-1)11-16-9-3-6-13-10-14-7-8-15(13)17-14/h11,13-15H,1-10H2
InChIKeyNCJGGKQVDXCQEP-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.81
Rot. Bonds5

About 2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane

2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane (PubChem CID 176604134) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane
PubChem CID176604134
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane
SMILESC(OCCCC1CC2CCC1O2)=C1CCCC1
InChIInChI=1S/C15H24O2/c1-2-5-12(4-1)11-16-9-3-6-13-10-14-7-8-15(13)17-14/h11,13-15H,1-10H2
InChIKeyNCJGGKQVDXCQEP-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane (CID 176604134) is 2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane is C(OCCCC1CC2CCC1O2)=C1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane?
The InChIKey is NCJGGKQVDXCQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-5-12(4-1)11-16-9-3-6-13-10-14-7-8-15(13)17-14/h11,13-15H,1-10H2.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane?
2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane has a molecular weight of 236.35 g/mol, XLogP of 3.81, 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]-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 176604134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).