1-methoxy-2,2,4-trimethylpentan-3-ol

C9H20O2 — CID 23199457

IUPAC1-methoxy-2,2,4-trimethylpentan-3-ol
SMILESCOCC(C)(C)C(O)C(C)C
InChIInChI=1S/C9H20O2/c1-7(2)8(10)9(3,4)6-11-5/h7-8,10H,6H2,1-5H3
InChIKeyHDJPGCYOHMKNQP-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.68
Rot. Bonds4

About 1-methoxy-2,2,4-trimethylpentan-3-ol

1-methoxy-2,2,4-trimethylpentan-3-ol (PubChem CID 23199457) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-methoxy-2,2,4-trimethylpentan-3-ol.

Molecular Properties

Compound Name1-methoxy-2,2,4-trimethylpentan-3-ol
PubChem CID23199457
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-methoxy-2,2,4-trimethylpentan-3-ol
SMILESCOCC(C)(C)C(O)C(C)C
InChIInChI=1S/C9H20O2/c1-7(2)8(10)9(3,4)6-11-5/h7-8,10H,6H2,1-5H3
InChIKeyHDJPGCYOHMKNQP-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2,2-dimethylpropane-1,1-diol
CID 139679020
2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366
2,2,4-trimethylpentane-1,3-diol;hydrate
CID 176902266
(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate;2-methylpropanal
CID 88609454
6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol
CID 129270186
(3-hydroxy-2,2,4-trimethylpentyl) 2-ethyl-4-methyl-2-(2-methylpropyl)pentanoate
CID 88641434
2,4,4-trimethyloctan-3-ol
CID 57242612
acetyl acetate;2,2,4-trimethylpentane-1,3-diol
CID 146303073
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
1-(5-hydroxy-7-methoxy-2,4,4,6,6-pentamethylheptan-2-yl)oxy-6-methoxy-2,2,4,4,6-pentamethylheptan-3-ol
CID 90296930
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
3-methoxy-3-(methoxymethyl)-2,4-dimethylpentane
CID 23384967

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2,4-trimethylpentan-3-ol?
The IUPAC name of 1-methoxy-2,2,4-trimethylpentan-3-ol (CID 23199457) is 1-methoxy-2,2,4-trimethylpentan-3-ol.
What is the SMILES notation for 1-methoxy-2,2,4-trimethylpentan-3-ol?
The canonical SMILES for 1-methoxy-2,2,4-trimethylpentan-3-ol is COCC(C)(C)C(O)C(C)C.
What is the InChIKey of 1-methoxy-2,2,4-trimethylpentan-3-ol?
The InChIKey is HDJPGCYOHMKNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-7(2)8(10)9(3,4)6-11-5/h7-8,10H,6H2,1-5H3.
What are the key properties of 1-methoxy-2,2,4-trimethylpentan-3-ol?
1-methoxy-2,2,4-trimethylpentan-3-ol has a molecular weight of 160.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,4-trimethylpentan-3-ol is sourced from PubChem (CID 23199457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).