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

C13H22O2 — CID 141130191

IUPAC[1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
SMILESCCOCC1(CO)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H22O2/c1-6-15-8-13(7-14)11(4)9(2)10(3)12(13)5/h14H,6-8H2,1-5H3
InChIKeyGHDVDUKJFJBMLO-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.69
Rot. Bonds4

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

[1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol (PubChem CID 141130191) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is [1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
PubChem CID141130191
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name[1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol
SMILESCCOCC1(CO)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C13H22O2/c1-6-15-8-13(7-14)11(4)9(2)10(3)12(13)5/h14H,6-8H2,1-5H3
InChIKeyGHDVDUKJFJBMLO-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol?
The IUPAC name of [1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol (CID 141130191) is [1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol.
What is the SMILES notation for [1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol?
The canonical SMILES for [1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol is CCOCC1(CO)C(C)=C(C)C(C)=C1C.
What is the InChIKey of [1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol?
The InChIKey is GHDVDUKJFJBMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-6-15-8-13(7-14)11(4)9(2)10(3)12(13)5/h14H,6-8H2,1-5H3.
What are the key properties of [1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol?
[1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol has a molecular weight of 210.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethoxymethyl)-2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl]methanol is sourced from PubChem (CID 141130191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).