(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol

C11H20O3 — CID 21900

IUPAC(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(C2CCCCC2)OCC(CO)O1
InChIInChI=1S/C11H20O3/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h9-10,12H,2-8H2,1H3
InChIKeyMNGGBXINICRUAP-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.69
Rot. Bonds2

About (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol

(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol (PubChem CID 21900) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol
PubChem CID21900
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(C2CCCCC2)OCC(CO)O1
InChIInChI=1S/C11H20O3/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h9-10,12H,2-8H2,1H3
InChIKeyMNGGBXINICRUAP-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol (CID 21900) is (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol is CC1(C2CCCCC2)OCC(CO)O1.
What is the InChIKey of (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is MNGGBXINICRUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-11(9-5-3-2-4-6-9)13-8-10(7-12)14-11/h9-10,12H,2-8H2,1H3.
What are the key properties of (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol?
(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 200.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).