5,5,5-trimethoxy-2,3-dimethylpentan-2-ol

C10H22O4 — CID 171063196

IUPAC5,5,5-trimethoxy-2,3-dimethylpentan-2-ol
SMILESCOC(CC(C)C(C)(C)O)(OC)OC
InChIInChI=1S/C10H22O4/c1-8(9(2,3)11)7-10(12-4,13-5)14-6/h8,11H,7H2,1-6H3
InChIKeySIAMBYPHBYOZFD-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.38
Rot. Bonds6

About 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol

5,5,5-trimethoxy-2,3-dimethylpentan-2-ol (PubChem CID 171063196) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name5,5,5-trimethoxy-2,3-dimethylpentan-2-ol
PubChem CID171063196
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name5,5,5-trimethoxy-2,3-dimethylpentan-2-ol
SMILESCOC(CC(C)C(C)(C)O)(OC)OC
InChIInChI=1S/C10H22O4/c1-8(9(2,3)11)7-10(12-4,13-5)14-6/h8,11H,7H2,1-6H3
InChIKeySIAMBYPHBYOZFD-UHFFFAOYSA-N
XLogP1.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.38
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

2,3,6-trimethylheptan-2-ol
CID 59087571
1,1-dimethoxy-3-methylbutan-1-ol
CID 11435025
4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol
CID 57304463
2,3,5-trimethyloctan-2-ol
CID 123479971
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,3-dimethyl-4-(propan-2-ylamino)butan-2-ol
CID 87601650
1-(2,2,2-trimethoxyethoxy)ethanol
CID 160554155
2,3-dimethyl-4-(1-propan-2-yloxypropan-2-yloxy)butan-2-ol
CID 138747059
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-ol
CID 65103997
2-methoxy-2,4-dimethylpentane-1,1-diol
CID 142039532
3-methoxy-3,5-dimethylhexan-2-ol
CID 151114021
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol?
The IUPAC name of 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol (CID 171063196) is 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol?
The canonical SMILES for 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol is COC(CC(C)C(C)(C)O)(OC)OC.
What is the InChIKey of 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol?
The InChIKey is SIAMBYPHBYOZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-8(9(2,3)11)7-10(12-4,13-5)14-6/h8,11H,7H2,1-6H3.
What are the key properties of 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol?
5,5,5-trimethoxy-2,3-dimethylpentan-2-ol has a molecular weight of 206.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trimethoxy-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 171063196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).