1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol

C11H18O4 — CID 560038

IUPAC1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol
SMILESCC1(O)CCC(C2(C)OCCO2)C=C1O
InChIInChI=1S/C11H18O4/c1-10(13)4-3-8(7-9(10)12)11(2)14-5-6-15-11/h7-8,12-13H,3-6H2,1-2H3
InChIKeyZJCWIIQTJADNEK-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.35
Rot. Bonds1

About 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol

1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol (PubChem CID 560038) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol
PubChem CID560038
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol
SMILESCC1(O)CCC(C2(C)OCCO2)C=C1O
InChIInChI=1S/C11H18O4/c1-10(13)4-3-8(7-9(10)12)11(2)14-5-6-15-11/h7-8,12-13H,3-6H2,1-2H3
InChIKeyZJCWIIQTJADNEK-UHFFFAOYSA-N
XLogP1.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6,7-Dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
CID 11019847
2-(1,4-Dioxaspiro[4.5]dec-7-EN-8-YL)-2-propanol
CID 22753428
(Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol
CID 11003520
8-(2,3-Dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 102650659
(7-Methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol
CID 130124189

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol?
The IUPAC name of 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol (CID 560038) is 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol.
What is the SMILES notation for 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol?
The canonical SMILES for 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol is CC1(O)CCC(C2(C)OCCO2)C=C1O.
What is the InChIKey of 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol?
The InChIKey is ZJCWIIQTJADNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-10(13)4-3-8(7-9(10)12)11(2)14-5-6-15-11/h7-8,12-13H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol?
1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol has a molecular weight of 214.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohex-2-ene-1,2-diol is sourced from PubChem (CID 560038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).