2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol

C11H22O4 — CID 164668290

IUPAC2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol
SMILESCOC1CC(OC)(OC)C(O)CC1(C)C
InChIInChI=1S/C11H22O4/c1-10(2)6-8(12)11(14-4,15-5)7-9(10)13-3/h8-9,12H,6-7H2,1-5H3
InChIKeyBZUMSZSIQPFNOY-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.17
Rot. Bonds3

About 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol

2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol (PubChem CID 164668290) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol
PubChem CID164668290
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol
SMILESCOC1CC(OC)(OC)C(O)CC1(C)C
InChIInChI=1S/C11H22O4/c1-10(2)6-8(12)11(14-4,15-5)7-9(10)13-3/h8-9,12H,6-7H2,1-5H3
InChIKeyBZUMSZSIQPFNOY-UHFFFAOYSA-N
XLogP1.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1,1,5-trimethylcyclohexane
CID 59938882
4-methoxy-2,2,5,5-tetramethylpiperidine
CID 142471309
(1R,4S)-4-methoxy-5,5-dimethylcyclohex-2-en-1-ol
CID 10261326
2-methoxy-1,1-dimethylcyclobutane
CID 58806257
(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
CID 44584079
(1'S,4S)-6-methoxy-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,2'-cyclopropane]-1'-ol
CID 167191478
CID 100937333
CID 100937333
5-methoxy-6,6-dimethyloxan-2-ol
CID 77491775
3,3-dimethoxycyclobutan-1-ol
CID 130945109
2-methoxy-N,1-dimethylcyclopropane-1-carboxamide
CID 122703349
(1S,6R)-4-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 59057770
(E)-1-(2,2-dimethylcyclopropyl)-N-[(2-methylpropan-2-yl)oxy]ethanimine
CID 127004590

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol (CID 164668290) is 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol is COC1CC(OC)(OC)C(O)CC1(C)C.
What is the InChIKey of 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol?
The InChIKey is BZUMSZSIQPFNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-10(2)6-8(12)11(14-4,15-5)7-9(10)13-3/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol?
2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol has a molecular weight of 218.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 164668290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).