2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane

C13H22O2 — CID 3569245

IUPAC2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane
SMILESCC1=CCC(COC2CCCCO2)CC1
InChIInChI=1S/C13H22O2/c1-11-5-7-12(8-6-11)10-15-13-4-2-3-9-14-13/h5,12-13H,2-4,6-10H2,1H3
InChIKeyLFAQVYJUSFJZDU-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds3

About 2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane

2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane (PubChem CID 3569245) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane.

Molecular Properties

Compound Name2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane
PubChem CID3569245
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane
SMILESCC1=CCC(COC2CCCCO2)CC1
InChIInChI=1S/C13H22O2/c1-11-5-7-12(8-6-11)10-15-13-4-2-3-9-14-13/h5,12-13H,2-4,6-10H2,1H3
InChIKeyLFAQVYJUSFJZDU-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane?
The IUPAC name of 2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane (CID 3569245) is 2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane.
What is the SMILES notation for 2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane?
The canonical SMILES for 2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane is CC1=CCC(COC2CCCCO2)CC1.
What is the InChIKey of 2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane?
The InChIKey is LFAQVYJUSFJZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11-5-7-12(8-6-11)10-15-13-4-2-3-9-14-13/h5,12-13H,2-4,6-10H2,1H3.
What are the key properties of 2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane?
2-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane has a molecular weight of 210.32 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-[(4-methylcyclohex-3-en-1-yl)methoxy]oxane is sourced from PubChem (CID 3569245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).