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

C16H28O2 — CID 176603059

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane
SMILESCCC1(CCCOC=C2CCCC2)CCCOC1
InChIInChI=1S/C16H28O2/c1-2-16(10-6-12-18-14-16)9-5-11-17-13-15-7-3-4-8-15/h13H,2-12,14H2,1H3
InChIKeyYBOLTNLYJQQVTC-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.45
Rot. Bonds6

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

3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane (PubChem CID 176603059) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane
PubChem CID176603059
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane
SMILESCCC1(CCCOC=C2CCCC2)CCCOC1
InChIInChI=1S/C16H28O2/c1-2-16(10-6-12-18-14-16)9-5-11-17-13-15-7-3-4-8-15/h13H,2-12,14H2,1H3
InChIKeyYBOLTNLYJQQVTC-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

3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxolane
CID 176603026
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxepane
CID 176603108
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxane
CID 176603595
3-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176603781
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603783
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methyloxane
CID 176604630
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxane
CID 176604666
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxane
CID 176605084
3-(Cyclopentylidenemethoxymethyl)-3-methyloxane
CID 176605148
3-Methylidene-8-oxaspiro[4.5]decane
CID 177138943
4-Methylidene-8-oxaspiro[4.5]decane
CID 130493971

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane (CID 176603059) is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane is CCC1(CCCOC=C2CCCC2)CCCOC1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane?
The InChIKey is YBOLTNLYJQQVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-16(10-6-12-18-14-16)9-5-11-17-13-15-7-3-4-8-15/h13H,2-12,14H2,1H3.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane?
3-[3-(cyclopentylidenemethoxy)propyl]-3-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 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxane is sourced from PubChem (CID 176603059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).