2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane

C16H28O2 — CID 176604065

IUPAC2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane
SMILESCCC1(COC=C2CCCC2)CCCCCCO1
InChIInChI=1S/C16H28O2/c1-2-16(11-7-3-4-8-12-18-16)14-17-13-15-9-5-6-10-15/h13H,2-12,14H2,1H3
InChIKeyBEOUSEKIFNSOHX-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.59
Rot. Bonds4

About 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane

2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane (PubChem CID 176604065) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane
PubChem CID176604065
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane
SMILESCCC1(COC=C2CCCC2)CCCCCCO1
InChIInChI=1S/C16H28O2/c1-2-16(11-7-3-4-8-12-18-16)14-17-13-15-9-5-6-10-15/h13H,2-12,14H2,1H3
InChIKeyBEOUSEKIFNSOHX-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane (CID 176604065) is 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane is CCC1(COC=C2CCCC2)CCCCCCO1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane?
The InChIKey is BEOUSEKIFNSOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-16(11-7-3-4-8-12-18-16)14-17-13-15-9-5-6-10-15/h13H,2-12,14H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane?
2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane has a molecular weight of 252.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-ethyloxocane is sourced from PubChem (CID 176604065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).