2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane

C14H23ClO2 — CID 176604739

IUPAC2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane
SMILESClC(OCC1CC2CCC1O2)C1CCCCC1
InChIInChI=1S/C14H23ClO2/c15-14(10-4-2-1-3-5-10)16-9-11-8-12-6-7-13(11)17-12/h10-14H,1-9H2
InChIKeyJAEASLOLHXVAAQ-UHFFFAOYSA-N
MW258.79 g/mol
LogP3.72
Rot. Bonds4

About 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane

2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane (PubChem CID 176604739) has the molecular formula C14H23ClO2 and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane
PubChem CID176604739
Molecular FormulaC14H23ClO2
Molecular Weight258.79 g/mol
Exact Mass258.14
IUPAC Name2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane
SMILESClC(OCC1CC2CCC1O2)C1CCCCC1
InChIInChI=1S/C14H23ClO2/c15-14(10-4-2-1-3-5-10)16-9-11-8-12-6-7-13(11)17-12/h10-14H,1-9H2
InChIKeyJAEASLOLHXVAAQ-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane (CID 176604739) is 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane is ClC(OCC1CC2CCC1O2)C1CCCCC1.
What is the InChIKey of 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane?
The InChIKey is JAEASLOLHXVAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO2/c15-14(10-4-2-1-3-5-10)16-9-11-8-12-6-7-13(11)17-12/h10-14H,1-9H2.
What are the key properties of 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane?
2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane has a molecular weight of 258.79 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 176604739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).