2-(cyclohex-3-en-1-ylmethoxy)oxane

C12H20O2 — CID 12025488

IUPAC2-(cyclohex-3-en-1-ylmethoxy)oxane
SMILESC1=CCC(COC2CCCCO2)CC1
InChIInChI=1S/C12H20O2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-2,11-12H,3-10H2
InChIKeySCACQAPFXXVQIQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds3

About 2-(cyclohex-3-en-1-ylmethoxy)oxane

2-(cyclohex-3-en-1-ylmethoxy)oxane (PubChem CID 12025488) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethoxy)oxane.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethoxy)oxane
PubChem CID12025488
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(cyclohex-3-en-1-ylmethoxy)oxane
SMILESC1=CCC(COC2CCCCO2)CC1
InChIInChI=1S/C12H20O2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-2,11-12H,3-10H2
InChIKeySCACQAPFXXVQIQ-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
(3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran
CID 11241051
cyclohex-3-en-1-ylmethoxy(trimethyl)silane
CID 11084547
2-[2-(cyclopropylmethoxy)ethoxy]oxane
CID 66652846
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-cycloheptyloxyoxane
CID 11735764
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-[(5-bromooxolan-2-yl)methoxy]oxane
CID 11277076
(2R)-2-[[(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane
CID 125485873
2-(oxan-2-yloxymethyl)-2H-furan-5-one
CID 14432035

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethoxy)oxane?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethoxy)oxane (CID 12025488) is 2-(cyclohex-3-en-1-ylmethoxy)oxane.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethoxy)oxane?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethoxy)oxane is C1=CCC(COC2CCCCO2)CC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethoxy)oxane?
The InChIKey is SCACQAPFXXVQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-2,11-12H,3-10H2.
What are the key properties of 2-(cyclohex-3-en-1-ylmethoxy)oxane?
2-(cyclohex-3-en-1-ylmethoxy)oxane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethoxy)oxane is sourced from PubChem (CID 12025488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).