2-(cyclopentylidenemethoxymethyl)-2-methyloxocane

C15H26O2 — CID 176604337

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methyloxocane
SMILESCC1(COC=C2CCCC2)CCCCCCO1
InChIInChI=1S/C15H26O2/c1-15(10-6-2-3-7-11-17-15)13-16-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3
InChIKeyUGZMQDJKXOTBTQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.20
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-2-methyloxocane

2-(cyclopentylidenemethoxymethyl)-2-methyloxocane (PubChem CID 176604337) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methyloxocane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methyloxocane
PubChem CID176604337
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methyloxocane
SMILESCC1(COC=C2CCCC2)CCCCCCO1
InChIInChI=1S/C15H26O2/c1-15(10-6-2-3-7-11-17-15)13-16-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3
InChIKeyUGZMQDJKXOTBTQ-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.20
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-methyloxocane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyloxocane (CID 176604337) is 2-(cyclopentylidenemethoxymethyl)-2-methyloxocane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methyloxocane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methyloxocane is CC1(COC=C2CCCC2)CCCCCCO1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methyloxocane?
The InChIKey is UGZMQDJKXOTBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(10-6-2-3-7-11-17-15)13-16-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methyloxocane?
2-(cyclopentylidenemethoxymethyl)-2-methyloxocane has a molecular weight of 238.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-methyloxocane is sourced from PubChem (CID 176604337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).