2-(cyclohexylidenemethoxymethyl)oxocane

C15H26O2 — CID 176603472

IUPAC2-(cyclohexylidenemethoxymethyl)oxocane
SMILESC(OCC1CCCCCCO1)=C1CCCCC1
InChIInChI=1S/C15H26O2/c1-2-7-11-17-15(10-6-1)13-16-12-14-8-4-3-5-9-14/h12,15H,1-11,13H2
InChIKeyIRZJIXKDUXBGCC-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.20
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)oxocane

2-(cyclohexylidenemethoxymethyl)oxocane (PubChem CID 176603472) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)oxocane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)oxocane
PubChem CID176603472
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(cyclohexylidenemethoxymethyl)oxocane
SMILESC(OCC1CCCCCCO1)=C1CCCCC1
InChIInChI=1S/C15H26O2/c1-2-7-11-17-15(10-6-1)13-16-12-14-8-4-3-5-9-14/h12,15H,1-11,13H2
InChIKeyIRZJIXKDUXBGCC-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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Related Compounds

3-(Cyclohexylidenemethoxy)oxocane
CID 176603020
2-(2-Methylprop-1-enoxymethyl)oxocane
CID 176603282
2-[3-(Cyclohexylidenemethoxy)propyl]oxocane
CID 176603505
2-[1-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176603756
2-(Cyclohexylidenemethoxymethyl)-2-methyloxocane
CID 176603918
2-[1-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176603972
2-(Cyclopentylidenemethoxymethyl)oxocane
CID 176604000
2-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604355
2-(Cyclohexylidenemethoxymethyl)oxane
CID 176604786
2-[3-(Cyclohexylidenemethoxy)propyl]oxane
CID 176605196
3-(Cyclopentylidenemethoxy)oxocane
CID 176605259
2-(Cyclohexylidenemethoxymethyl)oxepane
CID 176605291

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)oxocane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)oxocane (CID 176603472) is 2-(cyclohexylidenemethoxymethyl)oxocane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)oxocane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)oxocane is C(OCC1CCCCCCO1)=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)oxocane?
The InChIKey is IRZJIXKDUXBGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-7-11-17-15(10-6-1)13-16-12-14-8-4-3-5-9-14/h12,15H,1-11,13H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)oxocane?
2-(cyclohexylidenemethoxymethyl)oxocane 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-(cyclohexylidenemethoxymethyl)oxocane is sourced from PubChem (CID 176603472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).