[6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol

C12H22O3 — CID 58373041

IUPAC[6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol
SMILESCOCC1=CC(C)C(OC)C(CO)C1C
InChIInChI=1S/C12H22O3/c1-8-5-10(7-14-3)9(2)11(6-13)12(8)15-4/h5,8-9,11-13H,6-7H2,1-4H3
InChIKeyMKYZIJOHLMFXNB-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.47
Rot. Bonds4

About [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol

[6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol (PubChem CID 58373041) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol
PubChem CID58373041
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol
SMILESCOCC1=CC(C)C(OC)C(CO)C1C
InChIInChI=1S/C12H22O3/c1-8-5-10(7-14-3)9(2)11(6-13)12(8)15-4/h5,8-9,11-13H,6-7H2,1-4H3
InChIKeyMKYZIJOHLMFXNB-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol
CID 44583968
(1R)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol
CID 15512326
11R-methoxy-5,9,13-proharzitrien-3-OL
CID 156581677
1-Cyclohexene-1-ethanol, 4-(1-methylethyl)-, monohydroxy deriv.
CID 133065488
(1S,5R,6E,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol
CID 163190020
(1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol
CID 163195673
Methanol, [6,8,9-trimethyl-4-(1-propenyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]-
CID 5335376
4-(Hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol
CID 73102432
Cambridge id 5611363
CID 2855385
(2R,4R,4aS,5R,8aR)-4,6-dimethyl-2-(2-methylprop-1-enyl)-2,3,4a,5,8,8a-hexahydrochromene-4,5-diol
CID 177650968
(6R,11R,12R)-6-methoxy-4,8,14,15,15-pentamethylbicyclo[9.3.1]pentadeca-1(14),4,8-trien-12-ol
CID 172014201
2-[(1S)-6-fluoro-4-methoxycyclohex-2-en-1-yl]propan-2-ol
CID 89664254

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol (CID 58373041) is [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol is COCC1=CC(C)C(OC)C(CO)C1C.
What is the InChIKey of [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol?
The InChIKey is MKYZIJOHLMFXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-8-5-10(7-14-3)9(2)11(6-13)12(8)15-4/h5,8-9,11-13H,6-7H2,1-4H3.
What are the key properties of [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol?
[6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol has a molecular weight of 214.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3-(methoxymethyl)-2,5-dimethylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 58373041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).