5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol

C12H22O3 — CID 67451139

IUPAC5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol
SMILESCCC1(CC)C=CC(OC)C(O)(OC)C1
InChIInChI=1S/C12H22O3/c1-5-11(6-2)8-7-10(14-3)12(13,9-11)15-4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeyDSCTVFNMUZCYBO-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.10
Rot. Bonds4

About 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol

5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol (PubChem CID 67451139) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol.

Molecular Properties

Compound Name5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol
PubChem CID67451139
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Name5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol
SMILESCCC1(CC)C=CC(OC)C(O)(OC)C1
InChIInChI=1S/C12H22O3/c1-5-11(6-2)8-7-10(14-3)12(13,9-11)15-4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeyDSCTVFNMUZCYBO-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Actinidol
CID 91753284
1-[(2,6,6-Trimethylcyclohex-2-en-1-yl)oxy]pentan-2-ol
CID 20238247
4-Ethyl 4-ethyl 2-ethyl eugenol
CID 129719903
2-Methoxy-4-methyl-(4-methylguaiacol)
CID 129865683
Actinidole
CID 91750140
1-[(2,6,6-Trimethylcyclohex-2-en-1-yl)oxy]butan-2-ol
CID 20238248
(1S,2R,6R)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-ol
CID 59949973
2-[1-(5,5-Dimethylcyclohexen-1-yl)ethoxy]propan-1-ol
CID 67017417
3-[1-(5,5-Dimethylcyclohexen-1-yl)ethoxy]butan-2-ol
CID 67017428
4,4-Bis(ethenyl)-6,6-dimethoxycyclohex-2-en-1-ol
CID 67104772
6-Butyl-6-methoxycyclohexa-2,4-dien-1-ol
CID 67914629
2-Methoxy-2,6,6-trimethyl-4-prop-2-enylcyclohex-3-en-1-ol
CID 69827551

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol?
The IUPAC name of 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol (CID 67451139) is 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol.
What is the SMILES notation for 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol?
The canonical SMILES for 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol is CCC1(CC)C=CC(OC)C(O)(OC)C1.
What is the InChIKey of 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol?
The InChIKey is DSCTVFNMUZCYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-11(6-2)8-7-10(14-3)12(13,9-11)15-4/h7-8,10,13H,5-6,9H2,1-4H3.
What are the key properties of 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol?
5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol has a molecular weight of 214.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,2-dimethoxycyclohex-3-en-1-ol is sourced from PubChem (CID 67451139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).