2-(2-methylprop-1-enoxymethyl)oxocane

C12H22O2 — CID 176603282

IUPAC2-(2-methylprop-1-enoxymethyl)oxocane
SMILESCC(C)=COCC1CCCCCCO1
InChIInChI=1S/C12H22O2/c1-11(2)9-13-10-12-7-5-3-4-6-8-14-12/h9,12H,3-8,10H2,1-2H3
InChIKeyVLRRWVLEAXLMSX-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds3

About 2-(2-methylprop-1-enoxymethyl)oxocane

2-(2-methylprop-1-enoxymethyl)oxocane (PubChem CID 176603282) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxymethyl)oxocane.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxymethyl)oxocane
PubChem CID176603282
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(2-methylprop-1-enoxymethyl)oxocane
SMILESCC(C)=COCC1CCCCCCO1
InChIInChI=1S/C12H22O2/c1-11(2)9-13-10-12-7-5-3-4-6-8-14-12/h9,12H,3-8,10H2,1-2H3
InChIKeyVLRRWVLEAXLMSX-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
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

2-Methylprop-1-enoxycyclooctane
CID 140148348
3-[(E)-prop-1-enoxy]oxocane
CID 176603148
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603287
2-[3-(2-Methylprop-1-enoxy)propyl]oxocane
CID 176603288
3-(2-Methylprop-1-enoxy)oxocane
CID 176603349
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603429
2-(Cyclohexylidenemethoxymethyl)oxocane
CID 176603472
2-[1-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176603756
2-[1-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176603972
2-[1-[(E)-prop-1-enoxy]ethyl]oxocane
CID 176603978
2-(Cyclopentylidenemethoxymethyl)oxocane
CID 176604000
2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176604541

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxymethyl)oxocane?
The IUPAC name of 2-(2-methylprop-1-enoxymethyl)oxocane (CID 176603282) is 2-(2-methylprop-1-enoxymethyl)oxocane.
What is the SMILES notation for 2-(2-methylprop-1-enoxymethyl)oxocane?
The canonical SMILES for 2-(2-methylprop-1-enoxymethyl)oxocane is CC(C)=COCC1CCCCCCO1.
What is the InChIKey of 2-(2-methylprop-1-enoxymethyl)oxocane?
The InChIKey is VLRRWVLEAXLMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)9-13-10-12-7-5-3-4-6-8-14-12/h9,12H,3-8,10H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxymethyl)oxocane?
2-(2-methylprop-1-enoxymethyl)oxocane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxymethyl)oxocane is sourced from PubChem (CID 176603282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).