4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane

C17H30O2 — CID 176603108

IUPAC4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane
SMILESCCC1(CCCOC=C2CCCC2)CCCOCC1
InChIInChI=1S/C17H30O2/c1-2-17(9-5-12-18-14-11-17)10-6-13-19-15-16-7-3-4-8-16/h15H,2-14H2,1H3
InChIKeyLDZIFNLFXFVFLP-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.84
Rot. Bonds6

About 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane

4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane (PubChem CID 176603108) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane.

Molecular Properties

Compound Name4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane
PubChem CID176603108
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane
SMILESCCC1(CCCOC=C2CCCC2)CCCOCC1
InChIInChI=1S/C17H30O2/c1-2-17(9-5-12-18-14-11-17)10-6-13-19-15-16-7-3-4-8-16/h15H,2-14H2,1H3
InChIKeyLDZIFNLFXFVFLP-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.84
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

1-(Methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene
CID 142115726
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxane
CID 176603059
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxane
CID 176603595
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxepane
CID 176604006
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxocane
CID 176604054
3-[2-(Cyclopentylidenemethoxy)ethyl]oxepane
CID 176604561

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane?
The IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane (CID 176603108) is 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane.
What is the SMILES notation for 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane?
The canonical SMILES for 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane is CCC1(CCCOC=C2CCCC2)CCCOCC1.
What is the InChIKey of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane?
The InChIKey is LDZIFNLFXFVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-17(9-5-12-18-14-11-17)10-6-13-19-15-16-7-3-4-8-16/h15H,2-14H2,1H3.
What are the key properties of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane?
4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane has a molecular weight of 266.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxepane is sourced from PubChem (CID 176603108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).