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

C16H28O2 — CID 176603595

IUPAC4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane
SMILESCCC1(CCCOC=C2CCCC2)CCOCC1
InChIInChI=1S/C16H28O2/c1-2-16(9-12-17-13-10-16)8-5-11-18-14-15-6-3-4-7-15/h14H,2-13H2,1H3
InChIKeyGBRUVWKAGQSNRJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.45
Rot. Bonds6

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

4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane (PubChem CID 176603595) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane.

Molecular Properties

Compound Name4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane
PubChem CID176603595
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane
SMILESCCC1(CCCOC=C2CCCC2)CCOCC1
InChIInChI=1S/C16H28O2/c1-2-16(9-12-17-13-10-16)8-5-11-18-14-15-6-3-4-7-15/h14H,2-13H2,1H3
InChIKeyGBRUVWKAGQSNRJ-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.45
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
1-(1-Ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane
CID 142115926
(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277602
3-(Methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277760
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxolane
CID 176603026
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxane
CID 176603059
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxepane
CID 176603108
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethyloxane
CID 176603273
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-(Cyclopentylidenemethoxymethyl)-4-methyloxane
CID 176604122
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methyloxane
CID 176604630

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane?
The IUPAC name of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane (CID 176603595) is 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane.
What is the SMILES notation for 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane?
The canonical SMILES for 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane is CCC1(CCCOC=C2CCCC2)CCOCC1.
What is the InChIKey of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane?
The InChIKey is GBRUVWKAGQSNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-16(9-12-17-13-10-16)8-5-11-18-14-15-6-3-4-7-15/h14H,2-13H2,1H3.
What are the key properties of 4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane?
4-[3-(cyclopentylidenemethoxy)propyl]-4-ethyloxane has a molecular weight of 252.40 g/mol, XLogP of 4.45, 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-ethyloxane is sourced from PubChem (CID 176603595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).