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

C16H28O2 — CID 176604784

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane
SMILESCCC1(CCCOC=C2CCCC2)CCCCO1
InChIInChI=1S/C16H28O2/c1-2-16(10-5-6-13-18-16)11-7-12-17-14-15-8-3-4-9-15/h14H,2-13H2,1H3
InChIKeyREVKKAROBKTNBW-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.59
Rot. Bonds6

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

2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane (PubChem CID 176604784) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane
PubChem CID176604784
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane
SMILESCCC1(CCCOC=C2CCCC2)CCCCO1
InChIInChI=1S/C16H28O2/c1-2-16(10-5-6-13-18-16)11-7-12-17-14-15-8-3-4-9-15/h14H,2-13H2,1H3
InChIKeyREVKKAROBKTNBW-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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

9-Methylidene-6-oxaspiro[4.5]decane
CID 12338281
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxane
CID 176603481
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxane
CID 176603490
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603700
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxolane
CID 176604620
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxolane
CID 176604907
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxocane
CID 176605013
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxane
CID 176605188

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane (CID 176604784) is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane is CCC1(CCCOC=C2CCCC2)CCCCO1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane?
The InChIKey is REVKKAROBKTNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-16(10-5-6-13-18-16)11-7-12-17-14-15-8-3-4-9-15/h14H,2-13H2,1H3.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane?
2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxane has a molecular weight of 252.40 g/mol, XLogP of 4.59, 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-ethyloxane is sourced from PubChem (CID 176604784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).