cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate

C19H32O7 — CID 158577027

IUPACcyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate
SMILESCOC(=O)CO.O=C(CO)OCC1CC=CCC1.OCC1CC=CCC1
InChIInChI=1S/C9H14O3.C7H12O.C3H6O3/c10-6-9(11)12-7-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;1-6-3(5)2-4/h1-2,8,10H,3-7H2;1-2,7-8H,3-6H2;4H,2H2,1H3
InChIKeyHSUCISKWLKSASY-UHFFFAOYSA-N
MW372.46 g/mol
LogP1.36
Rot. Bonds5

About cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate

cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate (PubChem CID 158577027) has the molecular formula C19H32O7 and a molecular weight of 372.46 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate
PubChem CID158577027
Molecular FormulaC19H32O7
Molecular Weight372.46 g/mol
Exact Mass372.21
IUPAC Namecyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate
SMILESCOC(=O)CO.O=C(CO)OCC1CC=CCC1.OCC1CC=CCC1
InChIInChI=1S/C9H14O3.C7H12O.C3H6O3/c10-6-9(11)12-7-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;1-6-3(5)2-4/h1-2,8,10H,3-7H2;1-2,7-8H,3-6H2;4H,2H2,1H3
InChIKeyHSUCISKWLKSASY-UHFFFAOYSA-N
XLogP1.36
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

methyl 2-cyclohex-3-en-1-ylacetate
CID 12739784
methyl 3-cyclohex-3-en-1-ylpropanoate
CID 12772855
[(1S)-cyclohex-3-en-1-yl]methyl (1S)-cyclohex-3-ene-1-carboxylate
CID 51381222
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
1-O-(cyclohex-3-en-1-ylmethyl) 5-O-(2-methylpentan-3-yl) pentanedioate
CID 91700572
cyclohex-3-en-1-ylmethyl 3-(4-methylpyrazol-1-yl)propanoate
CID 87044487
cyclohex-3-en-1-ylmethyl cyclohexanecarboxylate
CID 66696550
4-O-(cyclohex-3-en-1-ylmethyl) 1-O-nonyl (E)-but-2-enedioate
CID 91700431
cyclohex-3-en-1-ylmethyl 2,2-dimethyl-3-methylsulfanylpropanoate
CID 119037854
cyclohex-3-en-1-ylmethyl 2-isocyanoprop-2-enoate
CID 140768451
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
cyclohex-3-en-1-ylmethyl 4-(thiophene-3-carbonylamino)butanoate
CID 78802061

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate?
The IUPAC name of cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate (CID 158577027) is cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate.
What is the SMILES notation for cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate?
The canonical SMILES for cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate is COC(=O)CO.O=C(CO)OCC1CC=CCC1.OCC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate?
The InChIKey is HSUCISKWLKSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3.C7H12O.C3H6O3/c10-6-9(11)12-7-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;1-6-3(5)2-4/h1-2,8,10H,3-7H2;1-2,7-8H,3-6H2;4H,2H2,1H3.
What are the key properties of cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate?
cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate has a molecular weight of 372.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethanol;cyclohex-3-en-1-ylmethyl 2-hydroxyacetate;methyl 2-hydroxyacetate is sourced from PubChem (CID 158577027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).