dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol

C11H22O5 — CID 163689095

IUPACdimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
SMILESCOC(=O)OC.OCC1CCCCC1CO
InChIInChI=1S/C8H16O2.C3H6O3/c9-5-7-3-1-2-4-8(7)6-10;1-5-3(4)6-2/h7-10H,1-6H2;1-2H3
InChIKeyJRKLOKLLWHIOHE-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.18
Rot. Bonds2

About dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol

dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol (PubChem CID 163689095) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Namedimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
PubChem CID163689095
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namedimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
SMILESCOC(=O)OC.OCC1CCCCC1CO
InChIInChI=1S/C8H16O2.C3H6O3/c9-5-7-3-1-2-4-8(7)6-10;1-5-3(4)6-2/h7-10H,1-6H2;1-2H3
InChIKeyJRKLOKLLWHIOHE-UHFFFAOYSA-N
XLogP1.18
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;[(1R,2R)-2-(hydroxymethyl)cycloheptyl]methanol
CID 71398880
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 103255210
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
3-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxypropanamide
CID 106113069
2-[2-(hydroxymethyl)cyclohexyl]propanoic acid
CID 19848344
[2-(hydroxymethyl)cyclohexyl]methanol;2-methylbut-2-enoic acid
CID 174557513
2-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]acetyl iodide
CID 153399735
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide
CID 103021126
4-hydroxy-N-[[2-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 79191808

Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol?
The IUPAC name of dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol (CID 163689095) is dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol.
What is the SMILES notation for dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol?
The canonical SMILES for dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol is COC(=O)OC.OCC1CCCCC1CO.
What is the InChIKey of dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol?
The InChIKey is JRKLOKLLWHIOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C3H6O3/c9-5-7-3-1-2-4-8(7)6-10;1-5-3(4)6-2/h7-10H,1-6H2;1-2H3.
What are the key properties of dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol?
dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 234.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 163689095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).