(1S)-1-cyclohexyl-2,2-dimethoxyethanol

C10H20O3 — CID 100970044

IUPAC(1S)-1-cyclohexyl-2,2-dimethoxyethanol
SMILESCOC(OC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H20O3/c1-12-10(13-2)9(11)8-6-4-3-5-7-8/h8-11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyXOHXJQYNZOLGHD-VIFPVBQESA-N
MW188.27 g/mol
LogP1.55
Rot. Bonds4

About (1S)-1-cyclohexyl-2,2-dimethoxyethanol

(1S)-1-cyclohexyl-2,2-dimethoxyethanol (PubChem CID 100970044) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-2,2-dimethoxyethanol.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-2,2-dimethoxyethanol
PubChem CID100970044
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(1S)-1-cyclohexyl-2,2-dimethoxyethanol
SMILESCOC(OC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H20O3/c1-12-10(13-2)9(11)8-6-4-3-5-7-8/h8-11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyXOHXJQYNZOLGHD-VIFPVBQESA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol
CID 101356312
1-methoxyethylcyclooctane
CID 58445596
1-cycloheptylpropane-1,2-diol
CID 103452573
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784
methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 122389974
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
3-cyclododecylbutan-2-ol
CID 10444334
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
CID 116756323
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-2,2-dimethoxyethanol?
The IUPAC name of (1S)-1-cyclohexyl-2,2-dimethoxyethanol (CID 100970044) is (1S)-1-cyclohexyl-2,2-dimethoxyethanol.
What is the SMILES notation for (1S)-1-cyclohexyl-2,2-dimethoxyethanol?
The canonical SMILES for (1S)-1-cyclohexyl-2,2-dimethoxyethanol is COC(OC)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-2,2-dimethoxyethanol?
The InChIKey is XOHXJQYNZOLGHD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20O3/c1-12-10(13-2)9(11)8-6-4-3-5-7-8/h8-11H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-2,2-dimethoxyethanol?
(1S)-1-cyclohexyl-2,2-dimethoxyethanol has a molecular weight of 188.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-2,2-dimethoxyethanol is sourced from PubChem (CID 100970044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).