[1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol

C12H20O2 — CID 141130187

IUPAC[1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
SMILESCOCC1(CO)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O2/c1-8-9(2)11(4)12(6-13,7-14-5)10(8)3/h13H,6-7H2,1-5H3
InChIKeyBJJDMQYRRNYYEX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.30
Rot. Bonds3

About [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol

[1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol (PubChem CID 141130187) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
PubChem CID141130187
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
SMILESCOCC1(CO)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O2/c1-8-9(2)11(4)12(6-13,7-14-5)10(8)3/h13H,6-7H2,1-5H3
InChIKeyBJJDMQYRRNYYEX-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propan-1-ol
CID 134978460
2-[(2E)-4-methylpenta-2,4-dienyl]-2-prop-2-enylpropane-1,3-diol
CID 138968108
(2,3,4,5-Tetramethylcyclopenta-2,4-dien-1-yl)methanol
CID 13231647
(1,2,3,4,5-Pentamethylcyclopenta-2,4-dien-1-yl)methanol
CID 15202331
5-(1-Methoxyethyl)-5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 22140459
Ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium
CID 22186381
5,5-Bis(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 23204321
Ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 88289663
Ethanol;hafnium;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
CID 88290492
5-(Methoxymethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 102093940
[2,3,4,5-Tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol
CID 141130168
[1-(Ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
CID 141130191

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol?
The IUPAC name of [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol (CID 141130187) is [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol.
What is the SMILES notation for [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol?
The canonical SMILES for [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol is COCC1(CO)C(C)=C(C)C(C)=C1C.
What is the InChIKey of [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol?
The InChIKey is BJJDMQYRRNYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8-9(2)11(4)12(6-13,7-14-5)10(8)3/h13H,6-7H2,1-5H3.
What are the key properties of [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol?
[1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol has a molecular weight of 196.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol is sourced from PubChem (CID 141130187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).