3-(2-methoxyethyl)-4-methylpentan-2-ol

C9H20O2 — CID 62915702

IUPAC3-(2-methoxyethyl)-4-methylpentan-2-ol
SMILESCOCCC(C(C)C)C(C)O
InChIInChI=1S/C9H20O2/c1-7(2)9(8(3)10)5-6-11-4/h7-10H,5-6H2,1-4H3
InChIKeyOHMLIILZXMBQRJ-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.68
Rot. Bonds5

About 3-(2-methoxyethyl)-4-methylpentan-2-ol

3-(2-methoxyethyl)-4-methylpentan-2-ol (PubChem CID 62915702) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4-methylpentan-2-ol
PubChem CID62915702
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-(2-methoxyethyl)-4-methylpentan-2-ol
SMILESCOCCC(C(C)C)C(C)O
InChIInChI=1S/C9H20O2/c1-7(2)9(8(3)10)5-6-11-4/h7-10H,5-6H2,1-4H3
InChIKeyOHMLIILZXMBQRJ-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(1-chloroethyl)-1-methoxy-4-methylpentane
CID 62914980
3-(2-butoxyethyl)-4-methylpentan-2-ol
CID 62914613
2-hydroxy-6-methoxy-4-methylhexan-3-one
CID 103451528
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402
ethane;1-methoxy-3-methylbutane
CID 144580604
3-methoxy-1-(propan-2-ylamino)propan-1-ol
CID 138550346
3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
CID 79423809
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
(2S,5R)-3-propan-2-ylhexane-2,5-diol
CID 118216502
1-methoxypropan-2-ol;propane
CID 159966080
1,5-dimethoxy-3,6,6-trimethylheptan-4-ol
CID 116713153
4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102913664

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4-methylpentan-2-ol?
The IUPAC name of 3-(2-methoxyethyl)-4-methylpentan-2-ol (CID 62915702) is 3-(2-methoxyethyl)-4-methylpentan-2-ol.
What is the SMILES notation for 3-(2-methoxyethyl)-4-methylpentan-2-ol?
The canonical SMILES for 3-(2-methoxyethyl)-4-methylpentan-2-ol is COCCC(C(C)C)C(C)O.
What is the InChIKey of 3-(2-methoxyethyl)-4-methylpentan-2-ol?
The InChIKey is OHMLIILZXMBQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-7(2)9(8(3)10)5-6-11-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-4-methylpentan-2-ol?
3-(2-methoxyethyl)-4-methylpentan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4-methylpentan-2-ol is sourced from PubChem (CID 62915702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).