2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane

C18H32O2 — CID 176605013

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane
SMILESCCC1(CCCOC=C2CCCC2)CCCCCCO1
InChIInChI=1S/C18H32O2/c1-2-18(12-7-3-4-8-15-20-18)13-9-14-19-16-17-10-5-6-11-17/h16H,2-15H2,1H3
InChIKeyUVJVIADQOJHMBY-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.37
Rot. Bonds6

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

2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane (PubChem CID 176605013) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane
PubChem CID176605013
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane
SMILESCCC1(CCCOC=C2CCCC2)CCCCCCO1
InChIInChI=1S/C18H32O2/c1-2-18(12-7-3-4-8-15-20-18)13-9-14-19-16-17-10-5-6-11-17/h16H,2-15H2,1H3
InChIKeyUVJVIADQOJHMBY-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.37
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-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxocane
CID 176603278
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxocane
CID 176604043
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxocane
CID 176604054
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxocane
CID 176604065
2-(Cyclopentylidenemethoxymethyl)-2-methyloxocane
CID 176604337
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxane
CID 176604784
3-[2-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176604857
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxocane
CID 176605121
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxocane
CID 176605253
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxepane
CID 176605452

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane (CID 176605013) is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane is CCC1(CCCOC=C2CCCC2)CCCCCCO1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane?
The InChIKey is UVJVIADQOJHMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-18(12-7-3-4-8-15-20-18)13-9-14-19-16-17-10-5-6-11-17/h16H,2-15H2,1H3.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane?
2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane has a molecular weight of 280.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxocane is sourced from PubChem (CID 176605013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).