3,3-dimethoxycyclohexene

C8H14O2 — CID 573595

IUPAC3,3-dimethoxycyclohexene
SMILESCOC1(OC)C=CCCC1
InChIInChI=1S/C8H14O2/c1-9-8(10-2)6-4-3-5-7-8/h4,6H,3,5,7H2,1-2H3
InChIKeyOVIPECWZMIWWAS-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds2

About 3,3-dimethoxycyclohexene

3,3-dimethoxycyclohexene (PubChem CID 573595) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,3-dimethoxycyclohexene.

Molecular Properties

Compound Name3,3-dimethoxycyclohexene
PubChem CID573595
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3,3-dimethoxycyclohexene
SMILESCOC1(OC)C=CCCC1
InChIInChI=1S/C8H14O2/c1-9-8(10-2)6-4-3-5-7-8/h4,6H,3,5,7H2,1-2H3
InChIKeyOVIPECWZMIWWAS-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohex-2-en-1-yl methyl carbonate
CID 11073660
Cyclohex-2-en-1-yl ethyl carbonate
CID 11041142
(3RS,6RS)-3,6-Dimethoxy-cyclohexene
CID 12723453
(3R,6S)-3,6-Dimethoxy-cyclohexene
CID 12723454
3-Nonene, 8,8-dimethoxy-, (3Z)-
CID 6438012
3-Nonene, 8,8-dimethoxy-, (3E)-
CID 6438013
Cyclohexene, 4,4-dimethoxy-
CID 140142
[(1S)-cyclohex-2-en-1-yl] methyl carbonate
CID 100924290
methyl [(E)-oct-2-en-4-yl] carbonate
CID 101580372
3,3,4,4,5,5-Hexafluoro-6,6-dimethoxycyclohexene
CID 21731952
[(1S,4S)-4-fluorocyclohex-2-en-1-yl] methyl carbonate
CID 102038905
ethyl [(1R,4S)-4-fluorocyclohex-2-en-1-yl] carbonate
CID 102264246

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxycyclohexene?
The IUPAC name of 3,3-dimethoxycyclohexene (CID 573595) is 3,3-dimethoxycyclohexene.
What is the SMILES notation for 3,3-dimethoxycyclohexene?
The canonical SMILES for 3,3-dimethoxycyclohexene is COC1(OC)C=CCCC1.
What is the InChIKey of 3,3-dimethoxycyclohexene?
The InChIKey is OVIPECWZMIWWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-9-8(10-2)6-4-3-5-7-8/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 3,3-dimethoxycyclohexene?
3,3-dimethoxycyclohexene has a molecular weight of 142.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxycyclohexene is sourced from PubChem (CID 573595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).